(2R)-N-[(2S)-1-[(3S,3aS,6S,6aR)-3-[6-cyclopropyl-3-(2,2-difluoroethyl)-4,5-dioxohexanoyl]-6-fluoro-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-4-pyrazin-2-ylbutanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-(6-cyclopropyl-4,5-dioxo-3-propylhexanoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-[(7R)-3-(2,2-difluoroethyl)-4,5-dioxo-7-phenyloctanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-4-pyrazin-2-ylbutanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-[(7S)-4,5-dioxo-7-phenyl-3-propyloctanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-[(7S)-4,5-dioxo-3-propyl-7-pyridin-4-yloctanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-[(7R)-7-methyl-4,5-dioxo-3-propylnonanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanamide;(2S)-6-[2-[(3S,3aS,6aR)-2-[(2S)-3-methyl-2-[[(2R)-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]-2-oxoethyl]-2-benzyl-4,5-dioxononanoic acid;6-[2-[(3S,3aS,6aR)-2-[(2S)-3-methyl-2-[[(2R)-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]-2-oxoethyl]-4,5-dioxononanoic acid;[(5S)-5-(6-cyclopropyl-4,5-dioxo-3-propylhexanoyl)-1-[(2S)-3-methyl-2-[[(2R)-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanoyl]amino]butanoyl]pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate

C348H507F5N52O60 — CID 158323048

IUPAC(2R)-N-[(2S)-1-[(3S,3aS,6S,6aR)-3-[6-cyclopropyl-3-(2,2-difluoroethyl)-4,5-dioxohexanoyl]-6-fluoro-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-4-pyrazin-2-ylbutanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-(6-cyclopropyl-4,5-dioxo-3-propylhexanoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-[(7R)-3-(2,2-difluoroethyl)-4,5-dioxo-7-phenyloctanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-4-pyrazin-2-ylbutanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-[(7S)-4,5-dioxo-7-phenyl-3-propyloctanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-[(7S)-4,5-dioxo-3-propyl-7-pyridin-4-yloctanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-[(7R)-7-methyl-4,5-dioxo-3-propylnonanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanamide;(2S)-6-[2-[(3S,3aS,6aR)-2-[(2S)-3-methyl-2-[[(2R)-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]-2-oxoethyl]-2-benzyl-4,5-dioxononanoic acid;6-[2-[(3S,3aS,6aR)-2-[(2S)-3-methyl-2-[[(2R)-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]-2-oxoethyl]-4,5-dioxononanoic acid;[(5S)-5-(6-cyclopropyl-4,5-dioxo-3-propylhexanoyl)-1-[(2S)-3-methyl-2-[[(2R)-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanoyl]amino]butanoyl]pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate
SMILESCC(C)[C@@H](CC(=O)c1cnccn1)C(=O)N[C@H](C(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)CC(CC(F)F)C(=O)C(=O)C[C@@H](C)c1ccccc1)C(C)(C)C.CC(C)[C@H](NC(=O)[C@H](CC(=O)c1cnccn1)C(C)C)C(=O)N1C[C@H]2[C@H](CC[C@@H]2F)[C@H]1C(=O)CC(CC(F)F)C(=O)C(=O)CC1CC1.CCCC(CC(=O)[C@@H]1CC(OC(=O)N2CCc3ccccc3C2)CN1C(=O)[C@@H](NC(=O)C(CC(=O)CCCCc1nn[nH]n1)C(C)C)C(C)C)C(=O)C(=O)CC1CC1.CCCC(CC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@H](CC(=O)CCCCc1nn[nH]n1)C(C)C)C(C)C)C(=O)C(=O)CC1CC1.CCCC(CC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@H](CC(=O)CCCCc1nn[nH]n1)C(C)C)C(C)C)C(=O)C(=O)CCC(=O)O.CCCC(CC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@H](CC(=O)CCCCc1nn[nH]n1)C(C)C)C(C)C)C(=O)C(=O)C[C@H](C)CC.CCCC(CC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@H](CC(=O)CCCCc1nn[nH]n1)C(C)C)C(C)C)C(=O)C(=O)C[C@H](C)c1ccccc1.CCCC(CC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@H](CC(=O)CCCCc1nn[nH]n1)C(C)C)C(C)C)C(=O)C(=O)C[C@H](C)c1ccncc1.CCCC(CC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@H](CC(=O)CCCCc1nn[nH]n1)C(C)C)C(C)C)C(=O)C(=O)C[C@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C43H61N7O8.C42H60N6O8.C41H60N6O6.C40H52F2N4O6.C40H59N7O6.C37H60N6O6.C36H56N6O6.C35H54N6O8.C34H45F3N4O6/c1-6-11-30(40(54)37(53)20-28-16-17-28)21-36(52)35-23-33(58-43(57)49-19-18-29-12-7-8-13-31(29)24-49)25-50(35)42(56)39(27(4)5)44-41(55)34(26(2)3)22-32(51)14-9-10-15-38-45-47-48-46-38;1-6-13-28(39(52)35(51)22-30(42(55)56)20-27-14-8-7-9-15-27)21-34(50)38-32-18-12-16-29(32)24-48(38)41(54)37(26(4)5)43-40(53)33(25(2)3)23-31(49)17-10-11-19-36-44-46-47-45-36;1-7-14-29(39(51)35(50)21-27(6)28-15-9-8-10-16-28)22-34(49)38-32-19-13-17-30(32)24-47(38)41(53)37(26(4)5)42-40(52)33(25(2)3)23-31(48)18-11-12-20-36-43-45-46-44-36;1-23(2)29(20-31(47)30-21-43-15-16-44-30)38(51)45-37(40(4,5)6)39(52)46-22-26-13-10-14-28(26)35(46)32(48)18-27(19-34(41)42)36(50)33(49)17-24(3)25-11-8-7-9-12-25;1-7-11-28(38(51)34(50)20-26(6)27-16-18-41-19-17-27)21-33(49)37-31-14-10-12-29(31)23-47(37)40(53)36(25(4)5)42-39(52)32(24(2)3)22-30(48)13-8-9-15-35-43-45-46-44-35;1-8-13-25(35(47)31(46)18-24(7)9-2)19-30(45)34-28-16-12-14-26(28)21-43(34)37(49)33(23(5)6)38-36(48)29(22(3)4)20-27(44)15-10-11-17-32-39-41-42-40-32;1-6-10-24(34(46)30(45)17-23-15-16-23)18-29(44)33-27-13-9-11-25(27)20-42(33)36(48)32(22(4)5)37-35(47)28(21(2)3)19-26(43)12-7-8-14-31-38-40-41-39-31;1-6-10-22(33(47)27(43)15-16-30(45)46)17-28(44)32-25-13-9-11-23(25)19-41(32)35(49)31(21(4)5)36-34(48)26(20(2)3)18-24(42)12-7-8-14-29-37-39-40-38-29;1-17(2)22(14-26(42)25-15-38-9-10-39-25)33(46)40-30(18(3)4)34(47)41-16-23-21(7-8-24(23)35)31(41)27(43)12-20(13-29(36)37)32(45)28(44)11-19-5-6-19/h7-8,12-13,26-28,30,33-35,39H,6,9-11,14-25H2,1-5H3,(H,44,55)(H,45,46,47,48);7-9,14-15,25-26,28-30,32-33,37-38H,6,10-13,16-24H2,1-5H3,(H,43,53)(H,55,56)(H,44,45,46,47);8-10,15-16,25-27,29-30,32-33,37-38H,7,11-14,17-24H2,1-6H3,(H,42,52)(H,43,44,45,46);7-9,11-12,15-16,21,23-24,26-29,34-35,37H,10,13-14,17-20,22H2,1-6H3,(H,45,51);16-19,24-26,28-29,31-32,36-37H,7-15,20-23H2,1-6H3,(H,42,52)(H,43,44,45,46);22-26,28-29,33-34H,8-21H2,1-7H3,(H,38,48)(H,39,40,41,42);21-25,27-28,32-33H,6-20H2,1-5H3,(H,37,47)(H,38,39,40,41);20-23,25-26,31-32H,6-19H2,1-5H3,(H,36,48)(H,45,46)(H,37,38,39,40);9-10,15,17-24,29-31H,5-8,11-14,16H2,1-4H3,(H,40,46)/t30?,33?,34?,35-,39-;28?,29-,30-,32-,33+,37-,38-;27-,29?,30-,32-,33+,37-,38-;24-,26+,27?,28+,29-,35+,37-;26-,28?,29-,31-,32+,36-,37-;24-,25?,26+,28+,29-,33+,34+;24?,25-,27-,28+,32-,33-;22?,23-,25-,26+,31-,32-;20?,21-,22+,23-,24-,30-,31-/m000101000/s1
InChIKeyGPBSHOZNWMEDLA-SXPANXICSA-N
MW6474.18 g/mol
LogP42.78
Rot. Bonds189

About (2R)-N-[(2S)-1-[(3S,3aS,6S,6aR)-3-[6-cyclopropyl-3-(2,2-difluoroethyl)-4,5-dioxohexanoyl]-6-fluoro-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-4-pyrazin-2-ylbutanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-(6-cyclopropyl-4,5-dioxo-3-propylhexanoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-[(7R)-3-(2,2-difluoroethyl)-4,5-dioxo-7-phenyloctanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-4-pyrazin-2-ylbutanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-[(7S)-4,5-dioxo-7-phenyl-3-propyloctanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-[(7S)-4,5-dioxo-3-propyl-7-pyridin-4-yloctanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-[(7R)-7-methyl-4,5-dioxo-3-propylnonanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanamide;(2S)-6-[2-[(3S,3aS,6aR)-2-[(2S)-3-methyl-2-[[(2R)-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]-2-oxoethyl]-2-benzyl-4,5-dioxononanoic acid;6-[2-[(3S,3aS,6aR)-2-[(2S)-3-methyl-2-[[(2R)-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]-2-oxoethyl]-4,5-dioxononanoic acid;[(5S)-5-(6-cyclopropyl-4,5-dioxo-3-propylhexanoyl)-1-[(2S)-3-methyl-2-[[(2R)-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanoyl]amino]butanoyl]pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate

(2R)-N-[(2S)-1-[(3S,3aS,6S,6aR)-3-[6-cyclopropyl-3-(2,2-difluoroethyl)-4,5-dioxohexanoyl]-6-fluoro-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-4-pyrazin-2-ylbutanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-(6-cyclopropyl-4,5-dioxo-3-propylhexanoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-[(7R)-3-(2,2-difluoroethyl)-4,5-dioxo-7-phenyloctanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-4-pyrazin-2-ylbutanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-[(7S)-4,5-dioxo-7-phenyl-3-propyloctanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-[(7S)-4,5-dioxo-3-propyl-7-pyridin-4-yloctanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-[(7R)-7-methyl-4,5-dioxo-3-propylnonanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanamide;(2S)-6-[2-[(3S,3aS,6aR)-2-[(2S)-3-methyl-2-[[(2R)-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]-2-oxoethyl]-2-benzyl-4,5-dioxononanoic acid;6-[2-[(3S,3aS,6aR)-2-[(2S)-3-methyl-2-[[(2R)-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]-2-oxoethyl]-4,5-dioxononanoic acid;[(5S)-5-(6-cyclopropyl-4,5-dioxo-3-propylhexanoyl)-1-[(2S)-3-methyl-2-[[(2R)-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanoyl]amino]butanoyl]pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate (PubChem CID 158323048) has the molecular formula C348H507F5N52O60 and a molecular weight of 6474.18 g/mol. Its IUPAC name is (2R)-N-[(2S)-1-[(3S,3aS,6S,6aR)-3-[6-cyclopropyl-3-(2,2-difluoroethyl)-4,5-dioxohexanoyl]-6-fluoro-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-4-pyrazin-2-ylbutanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-(6-cyclopropyl-4,5-dioxo-3-propylhexanoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-[(7R)-3-(2,2-difluoroethyl)-4,5-dioxo-7-phenyloctanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-4-pyrazin-2-ylbutanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-[(7S)-4,5-dioxo-7-phenyl-3-propyloctanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-[(7S)-4,5-dioxo-3-propyl-7-pyridin-4-yloctanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-[(7R)-7-methyl-4,5-dioxo-3-propylnonanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanamide;(2S)-6-[2-[(3S,3aS,6aR)-2-[(2S)-3-methyl-2-[[(2R)-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]-2-oxoethyl]-2-benzyl-4,5-dioxononanoic acid;6-[2-[(3S,3aS,6aR)-2-[(2S)-3-methyl-2-[[(2R)-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]-2-oxoethyl]-4,5-dioxononanoic acid;[(5S)-5-(6-cyclopropyl-4,5-dioxo-3-propylhexanoyl)-1-[(2S)-3-methyl-2-[[(2R)-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanoyl]amino]butanoyl]pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate.

Molecular Properties

Compound Name(2R)-N-[(2S)-1-[(3S,3aS,6S,6aR)-3-[6-cyclopropyl-3-(2,2-difluoroethyl)-4,5-dioxohexanoyl]-6-fluoro-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-4-pyrazin-2-ylbutanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-(6-cyclopropyl-4,5-dioxo-3-propylhexanoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-[(7R)-3-(2,2-difluoroethyl)-4,5-dioxo-7-phenyloctanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-4-pyrazin-2-ylbutanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-[(7S)-4,5-dioxo-7-phenyl-3-propyloctanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-[(7S)-4,5-dioxo-3-propyl-7-pyridin-4-yloctanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-[(7R)-7-methyl-4,5-dioxo-3-propylnonanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanamide;(2S)-6-[2-[(3S,3aS,6aR)-2-[(2S)-3-methyl-2-[[(2R)-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]-2-oxoethyl]-2-benzyl-4,5-dioxononanoic acid;6-[2-[(3S,3aS,6aR)-2-[(2S)-3-methyl-2-[[(2R)-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]-2-oxoethyl]-4,5-dioxononanoic acid;[(5S)-5-(6-cyclopropyl-4,5-dioxo-3-propylhexanoyl)-1-[(2S)-3-methyl-2-[[(2R)-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanoyl]amino]butanoyl]pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate
PubChem CID158323048
Molecular FormulaC348H507F5N52O60
Molecular Weight6474.18 g/mol
Exact Mass6469.81
IUPAC Name(2R)-N-[(2S)-1-[(3S,3aS,6S,6aR)-3-[6-cyclopropyl-3-(2,2-difluoroethyl)-4,5-dioxohexanoyl]-6-fluoro-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-4-pyrazin-2-ylbutanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-(6-cyclopropyl-4,5-dioxo-3-propylhexanoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-[(7R)-3-(2,2-difluoroethyl)-4,5-dioxo-7-phenyloctanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-4-pyrazin-2-ylbutanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-[(7S)-4,5-dioxo-7-phenyl-3-propyloctanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-[(7S)-4,5-dioxo-3-propyl-7-pyridin-4-yloctanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-[(7R)-7-methyl-4,5-dioxo-3-propylnonanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanamide;(2S)-6-[2-[(3S,3aS,6aR)-2-[(2S)-3-methyl-2-[[(2R)-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]-2-oxoethyl]-2-benzyl-4,5-dioxononanoic acid;6-[2-[(3S,3aS,6aR)-2-[(2S)-3-methyl-2-[[(2R)-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]-2-oxoethyl]-4,5-dioxononanoic acid;[(5S)-5-(6-cyclopropyl-4,5-dioxo-3-propylhexanoyl)-1-[(2S)-3-methyl-2-[[(2R)-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanoyl]amino]butanoyl]pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate
SMILESCC(C)[C@@H](CC(=O)c1cnccn1)C(=O)N[C@H](C(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)CC(CC(F)F)C(=O)C(=O)C[C@@H](C)c1ccccc1)C(C)(C)C.CC(C)[C@H](NC(=O)[C@H](CC(=O)c1cnccn1)C(C)C)C(=O)N1C[C@H]2[C@H](CC[C@@H]2F)[C@H]1C(=O)CC(CC(F)F)C(=O)C(=O)CC1CC1.CCCC(CC(=O)[C@@H]1CC(OC(=O)N2CCc3ccccc3C2)CN1C(=O)[C@@H](NC(=O)C(CC(=O)CCCCc1nn[nH]n1)C(C)C)C(C)C)C(=O)C(=O)CC1CC1.CCCC(CC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@H](CC(=O)CCCCc1nn[nH]n1)C(C)C)C(C)C)C(=O)C(=O)CC1CC1.CCCC(CC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@H](CC(=O)CCCCc1nn[nH]n1)C(C)C)C(C)C)C(=O)C(=O)CCC(=O)O.CCCC(CC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@H](CC(=O)CCCCc1nn[nH]n1)C(C)C)C(C)C)C(=O)C(=O)C[C@H](C)CC.CCCC(CC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@H](CC(=O)CCCCc1nn[nH]n1)C(C)C)C(C)C)C(=O)C(=O)C[C@H](C)c1ccccc1.CCCC(CC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@H](CC(=O)CCCCc1nn[nH]n1)C(C)C)C(C)C)C(=O)C(=O)C[C@H](C)c1ccncc1.CCCC(CC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@H](CC(=O)CCCCc1nn[nH]n1)C(C)C)C(C)C)C(=O)C(=O)C[C@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C43H61N7O8.C42H60N6O8.C41H60N6O6.C40H52F2N4O6.C40H59N7O6.C37H60N6O6.C36H56N6O6.C35H54N6O8.C34H45F3N4O6/c1-6-11-30(40(54)37(53)20-28-16-17-28)21-36(52)35-23-33(58-43(57)49-19-18-29-12-7-8-13-31(29)24-49)25-50(35)42(56)39(27(4)5)44-41(55)34(26(2)3)22-32(51)14-9-10-15-38-45-47-48-46-38;1-6-13-28(39(52)35(51)22-30(42(55)56)20-27-14-8-7-9-15-27)21-34(50)38-32-18-12-16-29(32)24-48(38)41(54)37(26(4)5)43-40(53)33(25(2)3)23-31(49)17-10-11-19-36-44-46-47-45-36;1-7-14-29(39(51)35(50)21-27(6)28-15-9-8-10-16-28)22-34(49)38-32-19-13-17-30(32)24-47(38)41(53)37(26(4)5)42-40(52)33(25(2)3)23-31(48)18-11-12-20-36-43-45-46-44-36;1-23(2)29(20-31(47)30-21-43-15-16-44-30)38(51)45-37(40(4,5)6)39(52)46-22-26-13-10-14-28(26)35(46)32(48)18-27(19-34(41)42)36(50)33(49)17-24(3)25-11-8-7-9-12-25;1-7-11-28(38(51)34(50)20-26(6)27-16-18-41-19-17-27)21-33(49)37-31-14-10-12-29(31)23-47(37)40(53)36(25(4)5)42-39(52)32(24(2)3)22-30(48)13-8-9-15-35-43-45-46-44-35;1-8-13-25(35(47)31(46)18-24(7)9-2)19-30(45)34-28-16-12-14-26(28)21-43(34)37(49)33(23(5)6)38-36(48)29(22(3)4)20-27(44)15-10-11-17-32-39-41-42-40-32;1-6-10-24(34(46)30(45)17-23-15-16-23)18-29(44)33-27-13-9-11-25(27)20-42(33)36(48)32(22(4)5)37-35(47)28(21(2)3)19-26(43)12-7-8-14-31-38-40-41-39-31;1-6-10-22(33(47)27(43)15-16-30(45)46)17-28(44)32-25-13-9-11-23(25)19-41(32)35(49)31(21(4)5)36-34(48)26(20(2)3)18-24(42)12-7-8-14-29-37-39-40-38-29;1-17(2)22(14-26(42)25-15-38-9-10-39-25)33(46)40-30(18(3)4)34(47)41-16-23-21(7-8-24(23)35)31(41)27(43)12-20(13-29(36)37)32(45)28(44)11-19-5-6-19/h7-8,12-13,26-28,30,33-35,39H,6,9-11,14-25H2,1-5H3,(H,44,55)(H,45,46,47,48);7-9,14-15,25-26,28-30,32-33,37-38H,6,10-13,16-24H2,1-5H3,(H,43,53)(H,55,56)(H,44,45,46,47);8-10,15-16,25-27,29-30,32-33,37-38H,7,11-14,17-24H2,1-6H3,(H,42,52)(H,43,44,45,46);7-9,11-12,15-16,21,23-24,26-29,34-35,37H,10,13-14,17-20,22H2,1-6H3,(H,45,51);16-19,24-26,28-29,31-32,36-37H,7-15,20-23H2,1-6H3,(H,42,52)(H,43,44,45,46);22-26,28-29,33-34H,8-21H2,1-7H3,(H,38,48)(H,39,40,41,42);21-25,27-28,32-33H,6-20H2,1-5H3,(H,37,47)(H,38,39,40,41);20-23,25-26,31-32H,6-19H2,1-5H3,(H,36,48)(H,45,46)(H,37,38,39,40);9-10,15,17-24,29-31H,5-8,11-14,16H2,1-4H3,(H,40,46)/t30?,33?,34?,35-,39-;28?,29-,30-,32-,33+,37-,38-;27-,29?,30-,32-,33+,37-,38-;24-,26+,27?,28+,29-,35+,37-;26-,28?,29-,31-,32+,36-,37-;24-,25?,26+,28+,29-,33+,34+;24?,25-,27-,28+,32-,33-;22?,23-,25-,26+,31-,32-;20?,21-,22+,23-,24-,30-,31-/m000101000/s1
InChIKeyGPBSHOZNWMEDLA-SXPANXICSA-N
XLogP42.78
TPSA1609.02 Ų
H-Bond Donors18
H-Bond Acceptors84
Rotatable Bonds189
Heavy Atoms465
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006474.18
LogP ≤ 542.78
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1084

Analyze (2R)-N-[(2S)-1-[(3S,3aS,6S,6aR)-3-[6-cyclopropyl-3-(2,2-difluoroethyl)-4,5-dioxohexanoyl]-6-fluoro-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-4-pyrazin-2-ylbutanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-(6-cyclopropyl-4,5-dioxo-3-propylhexanoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-[(7R)-3-(2,2-difluoroethyl)-4,5-dioxo-7-phenyloctanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-4-pyrazin-2-ylbutanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-[(7S)-4,5-dioxo-7-phenyl-3-propyloctanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-[(7S)-4,5-dioxo-3-propyl-7-pyridin-4-yloctanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-[(7R)-7-methyl-4,5-dioxo-3-propylnonanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanamide;(2S)-6-[2-[(3S,3aS,6aR)-2-[(2S)-3-methyl-2-[[(2R)-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]-2-oxoethyl]-2-benzyl-4,5-dioxononanoic acid;6-[2-[(3S,3aS,6aR)-2-[(2S)-3-methyl-2-[[(2R)-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]-2-oxoethyl]-4,5-dioxononanoic acid;[(5S)-5-(6-cyclopropyl-4,5-dioxo-3-propylhexanoyl)-1-[(2S)-3-methyl-2-[[(2R)-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanoyl]amino]butanoyl]pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-(6-cyclopropyl-4,5-dioxo-3-propylhexanoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-[(7S)-4,5-dioxo-7-phenyl-3-propyloctanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-[(7R)-7-methyl-4,5-dioxo-3-propylnonanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanamide;6-[2-[(3S,3aS,6aR)-2-[(2S)-3-methyl-2-[[(2R)-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]-2-oxoethyl]-4,5-dioxononanoic acid
CID 159186136
(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-(6-cyclobutyl-4,5-dioxo-3-propylhexanoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-4-pyrazin-2-ylbutanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-[(7R)-4,5-dioxo-7-phenyl-3-propyloctanoyl]-3,3a,4,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-4-pyrazin-2-ylbutanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-[(7R)-4,5-dioxo-7-phenyl-3-propyloctanoyl]-3,3a,4,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-4-pyrazin-2-ylbutanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-[(7S)-7-methyl-4,5-dioxo-3-propylnonanoyl]-3,3a,4,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-4-pyrazin-2-ylbutanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-[(7S)-7-methyl-4,5-dioxo-3-propylnonanoyl]-3,3a,4,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-4-pyrazin-2-ylbutanamide;(2R)-6-[2-[(3S,3aS,6aR)-2-[(2S)-3-methyl-2-[[(2R)-4-oxo-2-propan-2-yl-4-pyrazin-2-ylbutanoyl]amino]butanoyl]-3,3a,4,6a-tetrahydro-1H-cyclopenta[c]pyrrol-3-yl]-2-oxoethyl]-2-benzyl-4,5-dioxononanoic acid
CID 158944037
[(3R)-5-(6-cyclopropyl-4,5-dioxo-3-propylhexanoyl)-1-[(2S)-3-methyl-2-[[(2R)-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanoyl]amino]butanoyl]pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate;methane
CID 158029453
(2R)-6-[2-[(3S,3aS,6aR)-2-[(2S)-2-[[(2R)-2-cyclohexyl-4-oxo-4-pyrazin-2-ylbutanoyl]amino]-3,3-dimethylbutanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]-2-oxoethyl]-2-benzyl-4,5-dioxononanoic acid;6-[2-[(3S,3aS,6aR)-2-[(2S)-2-[[(2R)-2-cyclohexyl-4-oxo-4-pyrazin-2-ylbutanoyl]amino]-3,3-dimethylbutanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]-2-oxoethyl]-4,5-dioxononanoic acid;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-[6-cyclopropyl-3-(2,2-difluoroethyl)-4,5-dioxohexanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-cyclohexyl-4-oxo-4-pyrazin-2-ylbutanamide;(2R)-N-[(2S)-1-[(3S,3aS,6R,6aR)-3-(6-cyclopropyl-4,5-dioxo-3-propylhexanoyl)-6-hydroxy-6-methyl-1,3,3a,4,5,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-4-pyrazin-2-ylbutanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-[(7S)-7-methyl-4,5-dioxo-3-propylnonanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-cyclohexyl-4-oxo-4-pyrazin-2-ylbutanamide
CID 158307271
(2R)-N-[(2S)-1-[(3aS,6aR)-3-[(7S)-4,5-dioxo-7-phenyl-3-propyloctanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanamide
CID 158142167
(2R)-N-[(2S)-1-[(3aS,6aR)-3-[(7S)-4,5-dioxo-7-phenyl-3-propyloctanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-4-pyrazin-2-ylbutanamide
CID 158782355
(3S,3aS,6aR)-N-[(3S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-2-[(2S)-2-[[(2S)-2-[(1R)-1-methoxyethyl]-4-oxo-4-pyrazin-2-ylbutanoyl]amino]-3,3-dimethylbutanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-(6-cyclopropyl-4,5-dioxo-3-propylhexanoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-(cyclohexylmethyl)-4-oxo-4-pyrazin-2-ylbutanamide;(2R)-N-[(2S)-1-[(3S,3aS)-3-(6-cyclopropyl-4,5-dioxo-3-propylhexanoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-cyclohexyl-4-oxo-5-(2H-tetrazol-5-yl)pentanamide;(2R)-N-[(2S)-1-[(3S,3aS)-3-[(3S,7S)-4,5-dioxo-7-phenyl-3-propyloctanoyl]-6,6-difluoro-1,3,3a,4,5,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-cyclohexyl-4-oxo-4-pyrazin-2-ylbutanamide;(6S)-2-benzyl-6-[2-[(3S)-2-[(2S)-2-[[(2R)-2-cyclohexyl-4-oxo-4-pyrazin-2-ylbutanoyl]amino]-3,3-dimethylbutanoyl]-3,4-dihydro-1H-isoquinolin-3-yl]-2-oxoethyl]-4,5-dioxononanoic acid;methane
CID 159373492
(2R)-N-[1-[(3aS,6aR)-3-(6-cyclopropyl-4,5-dioxo-3-propylhexanoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-4-pyrazin-2-ylbutanamide
CID 157397328
(3S,3aS,6aR)-2-[(2S)-2-[[(2S,5R)-2-cyclohexyl-5-(methanesulfonamido)-4-oxohexanoyl]amino]-3,3-dimethylbutanoyl]-N-[(3S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-N-[(3S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-2-[(2S)-3,3-dimethyl-2-[[1-(2-oxo-2-pyrazin-2-ylethyl)cyclohexanecarbonyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(2R)-N-[(2S)-1-[(3S,3aS)-3-[(3S)-4,5-dioxo-7-phenyl-3-propylheptanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-cyclohexyl-4-oxo-4-pyrazin-2-ylbutanamide;(2R)-N-[(2S)-1-[(3S,3aS)-3-[(3S,7S)-4,5-dioxo-7-phenyl-3-propyloctanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-cyclohexyl-4-oxo-4-pyrazin-2-ylbutanamide;(2R)-N-[(2S)-1-[(3S,3aS)-3-[(3S)-4,5-dioxo-3-propyl-7-pyridin-3-ylheptanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-cyclohexyl-4-oxo-4-pyrazin-2-ylbutanamide;[(3S)-5-[[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]carbamoyl]-1-[(2S)-2-[[(2R)-2-[(6-methoxy-6-oxohexanoyl)amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 159588485
(2R)-6-[2-[(3aS)-2-[(2S)-3-methyl-2-[[(2R)-4-oxo-2-propan-2-yl-4-pyrazin-2-ylbutanoyl]amino]butanoyl]-6-oxo-1,3,3a,4,5,6a-hexahydrocyclopenta[c]pyrrol-3-yl]-2-oxoethyl]-2-benzyl-4,5-dioxononanoic acid
CID 160857537
(3S,3aS,6aR)-N-[(3S)-1-[[(2S)-butan-2-yl]amino]-1,2-dioxohexan-3-yl]-2-[(2S)-3,3-dimethyl-2-[[(2S,3S)-3-methyl-2-(2-oxo-2-pyrazin-2-ylethyl)pentanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-N-[(3S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-2-[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-2-(2-oxo-2-pyrazin-2-ylethyl)pentanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-2-(2-oxo-2-pyrazin-2-ylethyl)pentanoyl]amino]butanoyl]-N-[(3S)-1,2-dioxo-1-[[(1S)-1-phenylethyl]amino]hexan-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-[(2S)-3,3-dimethyl-2-[[(2S,3S)-3-methyl-2-(2-oxo-2-pyrazin-2-ylethyl)pentanoyl]amino]butanoyl]-N-[(3S)-1-[[(2S)-3-methylbutan-2-yl]amino]-1,2-dioxohexan-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(2S,3S)-N-[(2S)-1-[(3S)-3-[(3R)-6-cyclopropyl-4,5-dioxo-3-propylhexanoyl]-3,4-dihydro-1H-isoquinolin-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-3-methyl-2-(2-oxo-2-pyrazin-2-ylethyl)pentanamide
CID 160840026
(2R)-N-[1-[(3aS)-3-[(7R)-4,5-dioxo-7-phenyl-3-propyloctanoyl]-3,3a,4,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-4-pyrazin-2-ylbutanamide
CID 160591886

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-1-[(3S,3aS,6S,6aR)-3-[6-cyclopropyl-3-(2,2-difluoroethyl)-4,5-dioxohexanoyl]-6-fluoro-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-4-pyrazin-2-ylbutanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-(6-cyclopropyl-4,5-dioxo-3-propylhexanoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-[(7R)-3-(2,2-difluoroethyl)-4,5-dioxo-7-phenyloctanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-4-pyrazin-2-ylbutanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-[(7S)-4,5-dioxo-7-phenyl-3-propyloctanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-[(7S)-4,5-dioxo-3-propyl-7-pyridin-4-yloctanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-[(7R)-7-methyl-4,5-dioxo-3-propylnonanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanamide;(2S)-6-[2-[(3S,3aS,6aR)-2-[(2S)-3-methyl-2-[[(2R)-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]-2-oxoethyl]-2-benzyl-4,5-dioxononanoic acid;6-[2-[(3S,3aS,6aR)-2-[(2S)-3-methyl-2-[[(2R)-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]-2-oxoethyl]-4,5-dioxononanoic acid;[(5S)-5-(6-cyclopropyl-4,5-dioxo-3-propylhexanoyl)-1-[(2S)-3-methyl-2-[[(2R)-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanoyl]amino]butanoyl]pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate?
The IUPAC name of (2R)-N-[(2S)-1-[(3S,3aS,6S,6aR)-3-[6-cyclopropyl-3-(2,2-difluoroethyl)-4,5-dioxohexanoyl]-6-fluoro-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-4-pyrazin-2-ylbutanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-(6-cyclopropyl-4,5-dioxo-3-propylhexanoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-[(7R)-3-(2,2-difluoroethyl)-4,5-dioxo-7-phenyloctanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-4-pyrazin-2-ylbutanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-[(7S)-4,5-dioxo-7-phenyl-3-propyloctanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-[(7S)-4,5-dioxo-3-propyl-7-pyridin-4-yloctanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-[(7R)-7-methyl-4,5-dioxo-3-propylnonanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanamide;(2S)-6-[2-[(3S,3aS,6aR)-2-[(2S)-3-methyl-2-[[(2R)-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]-2-oxoethyl]-2-benzyl-4,5-dioxononanoic acid;6-[2-[(3S,3aS,6aR)-2-[(2S)-3-methyl-2-[[(2R)-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]-2-oxoethyl]-4,5-dioxononanoic acid;[(5S)-5-(6-cyclopropyl-4,5-dioxo-3-propylhexanoyl)-1-[(2S)-3-methyl-2-[[(2R)-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanoyl]amino]butanoyl]pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate (CID 158323048) is (2R)-N-[(2S)-1-[(3S,3aS,6S,6aR)-3-[6-cyclopropyl-3-(2,2-difluoroethyl)-4,5-dioxohexanoyl]-6-fluoro-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-4-pyrazin-2-ylbutanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-(6-cyclopropyl-4,5-dioxo-3-propylhexanoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-[(7R)-3-(2,2-difluoroethyl)-4,5-dioxo-7-phenyloctanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-4-pyrazin-2-ylbutanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-[(7S)-4,5-dioxo-7-phenyl-3-propyloctanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-[(7S)-4,5-dioxo-3-propyl-7-pyridin-4-yloctanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-[(7R)-7-methyl-4,5-dioxo-3-propylnonanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanamide;(2S)-6-[2-[(3S,3aS,6aR)-2-[(2S)-3-methyl-2-[[(2R)-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]-2-oxoethyl]-2-benzyl-4,5-dioxononanoic acid;6-[2-[(3S,3aS,6aR)-2-[(2S)-3-methyl-2-[[(2R)-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]-2-oxoethyl]-4,5-dioxononanoic acid;[(5S)-5-(6-cyclopropyl-4,5-dioxo-3-propylhexanoyl)-1-[(2S)-3-methyl-2-[[(2R)-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanoyl]amino]butanoyl]pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate.
What is the SMILES notation for (2R)-N-[(2S)-1-[(3S,3aS,6S,6aR)-3-[6-cyclopropyl-3-(2,2-difluoroethyl)-4,5-dioxohexanoyl]-6-fluoro-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-4-pyrazin-2-ylbutanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-(6-cyclopropyl-4,5-dioxo-3-propylhexanoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-[(7R)-3-(2,2-difluoroethyl)-4,5-dioxo-7-phenyloctanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-4-pyrazin-2-ylbutanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-[(7S)-4,5-dioxo-7-phenyl-3-propyloctanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-[(7S)-4,5-dioxo-3-propyl-7-pyridin-4-yloctanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-[(7R)-7-methyl-4,5-dioxo-3-propylnonanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanamide;(2S)-6-[2-[(3S,3aS,6aR)-2-[(2S)-3-methyl-2-[[(2R)-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]-2-oxoethyl]-2-benzyl-4,5-dioxononanoic acid;6-[2-[(3S,3aS,6aR)-2-[(2S)-3-methyl-2-[[(2R)-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]-2-oxoethyl]-4,5-dioxononanoic acid;[(5S)-5-(6-cyclopropyl-4,5-dioxo-3-propylhexanoyl)-1-[(2S)-3-methyl-2-[[(2R)-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanoyl]amino]butanoyl]pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate?
The canonical SMILES for (2R)-N-[(2S)-1-[(3S,3aS,6S,6aR)-3-[6-cyclopropyl-3-(2,2-difluoroethyl)-4,5-dioxohexanoyl]-6-fluoro-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-4-pyrazin-2-ylbutanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-(6-cyclopropyl-4,5-dioxo-3-propylhexanoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-[(7R)-3-(2,2-difluoroethyl)-4,5-dioxo-7-phenyloctanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-4-pyrazin-2-ylbutanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-[(7S)-4,5-dioxo-7-phenyl-3-propyloctanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-[(7S)-4,5-dioxo-3-propyl-7-pyridin-4-yloctanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-[(7R)-7-methyl-4,5-dioxo-3-propylnonanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanamide;(2S)-6-[2-[(3S,3aS,6aR)-2-[(2S)-3-methyl-2-[[(2R)-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]-2-oxoethyl]-2-benzyl-4,5-dioxononanoic acid;6-[2-[(3S,3aS,6aR)-2-[(2S)-3-methyl-2-[[(2R)-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]-2-oxoethyl]-4,5-dioxononanoic acid;[(5S)-5-(6-cyclopropyl-4,5-dioxo-3-propylhexanoyl)-1-[(2S)-3-methyl-2-[[(2R)-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanoyl]amino]butanoyl]pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate is CC(C)[C@@H](CC(=O)c1cnccn1)C(=O)N[C@H](C(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)CC(CC(F)F)C(=O)C(=O)C[C@@H](C)c1ccccc1)C(C)(C)C.CC(C)[C@H](NC(=O)[C@H](CC(=O)c1cnccn1)C(C)C)C(=O)N1C[C@H]2[C@H](CC[C@@H]2F)[C@H]1C(=O)CC(CC(F)F)C(=O)C(=O)CC1CC1.CCCC(CC(=O)[C@@H]1CC(OC(=O)N2CCc3ccccc3C2)CN1C(=O)[C@@H](NC(=O)C(CC(=O)CCCCc1nn[nH]n1)C(C)C)C(C)C)C(=O)C(=O)CC1CC1.CCCC(CC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@H](CC(=O)CCCCc1nn[nH]n1)C(C)C)C(C)C)C(=O)C(=O)CC1CC1.CCCC(CC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@H](CC(=O)CCCCc1nn[nH]n1)C(C)C)C(C)C)C(=O)C(=O)CCC(=O)O.CCCC(CC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@H](CC(=O)CCCCc1nn[nH]n1)C(C)C)C(C)C)C(=O)C(=O)C[C@H](C)CC.CCCC(CC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@H](CC(=O)CCCCc1nn[nH]n1)C(C)C)C(C)C)C(=O)C(=O)C[C@H](C)c1ccccc1.CCCC(CC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@H](CC(=O)CCCCc1nn[nH]n1)C(C)C)C(C)C)C(=O)C(=O)C[C@H](C)c1ccncc1.CCCC(CC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@H](CC(=O)CCCCc1nn[nH]n1)C(C)C)C(C)C)C(=O)C(=O)C[C@H](Cc1ccccc1)C(=O)O.
What is the InChIKey of (2R)-N-[(2S)-1-[(3S,3aS,6S,6aR)-3-[6-cyclopropyl-3-(2,2-difluoroethyl)-4,5-dioxohexanoyl]-6-fluoro-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-4-pyrazin-2-ylbutanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-(6-cyclopropyl-4,5-dioxo-3-propylhexanoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-[(7R)-3-(2,2-difluoroethyl)-4,5-dioxo-7-phenyloctanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-4-pyrazin-2-ylbutanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-[(7S)-4,5-dioxo-7-phenyl-3-propyloctanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-[(7S)-4,5-dioxo-3-propyl-7-pyridin-4-yloctanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-[(7R)-7-methyl-4,5-dioxo-3-propylnonanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanamide;(2S)-6-[2-[(3S,3aS,6aR)-2-[(2S)-3-methyl-2-[[(2R)-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]-2-oxoethyl]-2-benzyl-4,5-dioxononanoic acid;6-[2-[(3S,3aS,6aR)-2-[(2S)-3-methyl-2-[[(2R)-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]-2-oxoethyl]-4,5-dioxononanoic acid;[(5S)-5-(6-cyclopropyl-4,5-dioxo-3-propylhexanoyl)-1-[(2S)-3-methyl-2-[[(2R)-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanoyl]amino]butanoyl]pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate?
The InChIKey is GPBSHOZNWMEDLA-SXPANXICSA-N. The full InChI is InChI=1S/C43H61N7O8.C42H60N6O8.C41H60N6O6.C40H52F2N4O6.C40H59N7O6.C37H60N6O6.C36H56N6O6.C35H54N6O8.C34H45F3N4O6/c1-6-11-30(40(54)37(53)20-28-16-17-28)21-36(52)35-23-33(58-43(57)49-19-18-29-12-7-8-13-31(29)24-49)25-50(35)42(56)39(27(4)5)44-41(55)34(26(2)3)22-32(51)14-9-10-15-38-45-47-48-46-38;1-6-13-28(39(52)35(51)22-30(42(55)56)20-27-14-8-7-9-15-27)21-34(50)38-32-18-12-16-29(32)24-48(38)41(54)37(26(4)5)43-40(53)33(25(2)3)23-31(49)17-10-11-19-36-44-46-47-45-36;1-7-14-29(39(51)35(50)21-27(6)28-15-9-8-10-16-28)22-34(49)38-32-19-13-17-30(32)24-47(38)41(53)37(26(4)5)42-40(52)33(25(2)3)23-31(48)18-11-12-20-36-43-45-46-44-36;1-23(2)29(20-31(47)30-21-43-15-16-44-30)38(51)45-37(40(4,5)6)39(52)46-22-26-13-10-14-28(26)35(46)32(48)18-27(19-34(41)42)36(50)33(49)17-24(3)25-11-8-7-9-12-25;1-7-11-28(38(51)34(50)20-26(6)27-16-18-41-19-17-27)21-33(49)37-31-14-10-12-29(31)23-47(37)40(53)36(25(4)5)42-39(52)32(24(2)3)22-30(48)13-8-9-15-35-43-45-46-44-35;1-8-13-25(35(47)31(46)18-24(7)9-2)19-30(45)34-28-16-12-14-26(28)21-43(34)37(49)33(23(5)6)38-36(48)29(22(3)4)20-27(44)15-10-11-17-32-39-41-42-40-32;1-6-10-24(34(46)30(45)17-23-15-16-23)18-29(44)33-27-13-9-11-25(27)20-42(33)36(48)32(22(4)5)37-35(47)28(21(2)3)19-26(43)12-7-8-14-31-38-40-41-39-31;1-6-10-22(33(47)27(43)15-16-30(45)46)17-28(44)32-25-13-9-11-23(25)19-41(32)35(49)31(21(4)5)36-34(48)26(20(2)3)18-24(42)12-7-8-14-29-37-39-40-38-29;1-17(2)22(14-26(42)25-15-38-9-10-39-25)33(46)40-30(18(3)4)34(47)41-16-23-21(7-8-24(23)35)31(41)27(43)12-20(13-29(36)37)32(45)28(44)11-19-5-6-19/h7-8,12-13,26-28,30,33-35,39H,6,9-11,14-25H2,1-5H3,(H,44,55)(H,45,46,47,48);7-9,14-15,25-26,28-30,32-33,37-38H,6,10-13,16-24H2,1-5H3,(H,43,53)(H,55,56)(H,44,45,46,47);8-10,15-16,25-27,29-30,32-33,37-38H,7,11-14,17-24H2,1-6H3,(H,42,52)(H,43,44,45,46);7-9,11-12,15-16,21,23-24,26-29,34-35,37H,10,13-14,17-20,22H2,1-6H3,(H,45,51);16-19,24-26,28-29,31-32,36-37H,7-15,20-23H2,1-6H3,(H,42,52)(H,43,44,45,46);22-26,28-29,33-34H,8-21H2,1-7H3,(H,38,48)(H,39,40,41,42);21-25,27-28,32-33H,6-20H2,1-5H3,(H,37,47)(H,38,39,40,41);20-23,25-26,31-32H,6-19H2,1-5H3,(H,36,48)(H,45,46)(H,37,38,39,40);9-10,15,17-24,29-31H,5-8,11-14,16H2,1-4H3,(H,40,46)/t30?,33?,34?,35-,39-;28?,29-,30-,32-,33+,37-,38-;27-,29?,30-,32-,33+,37-,38-;24-,26+,27?,28+,29-,35+,37-;26-,28?,29-,31-,32+,36-,37-;24-,25?,26+,28+,29-,33+,34+;24?,25-,27-,28+,32-,33-;22?,23-,25-,26+,31-,32-;20?,21-,22+,23-,24-,30-,31-/m000101000/s1.
What are the key properties of (2R)-N-[(2S)-1-[(3S,3aS,6S,6aR)-3-[6-cyclopropyl-3-(2,2-difluoroethyl)-4,5-dioxohexanoyl]-6-fluoro-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-4-pyrazin-2-ylbutanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-(6-cyclopropyl-4,5-dioxo-3-propylhexanoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-[(7R)-3-(2,2-difluoroethyl)-4,5-dioxo-7-phenyloctanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-4-pyrazin-2-ylbutanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-[(7S)-4,5-dioxo-7-phenyl-3-propyloctanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-[(7S)-4,5-dioxo-3-propyl-7-pyridin-4-yloctanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-[(7R)-7-methyl-4,5-dioxo-3-propylnonanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanamide;(2S)-6-[2-[(3S,3aS,6aR)-2-[(2S)-3-methyl-2-[[(2R)-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]-2-oxoethyl]-2-benzyl-4,5-dioxononanoic acid;6-[2-[(3S,3aS,6aR)-2-[(2S)-3-methyl-2-[[(2R)-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]-2-oxoethyl]-4,5-dioxononanoic acid;[(5S)-5-(6-cyclopropyl-4,5-dioxo-3-propylhexanoyl)-1-[(2S)-3-methyl-2-[[(2R)-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanoyl]amino]butanoyl]pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate?
(2R)-N-[(2S)-1-[(3S,3aS,6S,6aR)-3-[6-cyclopropyl-3-(2,2-difluoroethyl)-4,5-dioxohexanoyl]-6-fluoro-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-4-pyrazin-2-ylbutanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-(6-cyclopropyl-4,5-dioxo-3-propylhexanoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-[(7R)-3-(2,2-difluoroethyl)-4,5-dioxo-7-phenyloctanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-4-pyrazin-2-ylbutanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-[(7S)-4,5-dioxo-7-phenyl-3-propyloctanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-[(7S)-4,5-dioxo-3-propyl-7-pyridin-4-yloctanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-[(7R)-7-methyl-4,5-dioxo-3-propylnonanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanamide;(2S)-6-[2-[(3S,3aS,6aR)-2-[(2S)-3-methyl-2-[[(2R)-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]-2-oxoethyl]-2-benzyl-4,5-dioxononanoic acid;6-[2-[(3S,3aS,6aR)-2-[(2S)-3-methyl-2-[[(2R)-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]-2-oxoethyl]-4,5-dioxononanoic acid;[(5S)-5-(6-cyclopropyl-4,5-dioxo-3-propylhexanoyl)-1-[(2S)-3-methyl-2-[[(2R)-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanoyl]amino]butanoyl]pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate has a molecular weight of 6474.18 g/mol, XLogP of 42.78, 189 rotatable bonds, 18 hydrogen bond donors, and 84 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2S)-1-[(3S,3aS,6S,6aR)-3-[6-cyclopropyl-3-(2,2-difluoroethyl)-4,5-dioxohexanoyl]-6-fluoro-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-4-pyrazin-2-ylbutanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-(6-cyclopropyl-4,5-dioxo-3-propylhexanoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-[(7R)-3-(2,2-difluoroethyl)-4,5-dioxo-7-phenyloctanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-4-pyrazin-2-ylbutanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-[(7S)-4,5-dioxo-7-phenyl-3-propyloctanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-[(7S)-4,5-dioxo-3-propyl-7-pyridin-4-yloctanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanamide;(2R)-N-[(2S)-1-[(3S,3aS,6aR)-3-[(7R)-7-methyl-4,5-dioxo-3-propylnonanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanamide;(2S)-6-[2-[(3S,3aS,6aR)-2-[(2S)-3-methyl-2-[[(2R)-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]-2-oxoethyl]-2-benzyl-4,5-dioxononanoic acid;6-[2-[(3S,3aS,6aR)-2-[(2S)-3-methyl-2-[[(2R)-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]-2-oxoethyl]-4,5-dioxononanoic acid;[(5S)-5-(6-cyclopropyl-4,5-dioxo-3-propylhexanoyl)-1-[(2S)-3-methyl-2-[[(2R)-4-oxo-2-propan-2-yl-8-(2H-tetrazol-5-yl)octanoyl]amino]butanoyl]pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate is sourced from PubChem (CID 158323048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).