(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

C198H280F2N20O35 — CID 158307271

IUPAC(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
SMILESCC(C)(C)[C@H](NC(=O)[C@H](CC(=O)c1cnccn1)C1CCCCC1)C(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)CC(CC(F)F)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)c1cnccn1)C1CCCCC1)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)c1cnccn1)C1CCCCC1)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)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)C[C@@H](Cc1ccccc1)C(=O)O.CCCC(CC(=O)[C@@H]1[C@H]2CC[C@@](C)(O)[C@H]2CN1C(=O)[C@@H](NC(=O)[C@H](CC(=O)c1cnccn1)C(C)C)C(C)(C)C)C(=O)C(=O)CC1CC1
InChIInChI=1S/C45H60N4O8.C40H60N4O6.C38H52F2N4O6.C38H54N4O8.C37H54N4O7/c1-5-13-30(40(53)38(52)24-32(44(56)57)22-28-14-8-6-9-15-28)23-37(51)39-33-19-12-18-31(33)27-49(39)43(55)41(45(2,3)4)48-42(54)34(29-16-10-7-11-17-29)25-36(50)35-26-46-20-21-47-35;1-7-13-27(36(48)34(47)20-25(3)8-2)21-33(46)35-29-17-12-16-28(29)24-44(35)39(50)37(40(4,5)6)43-38(49)30(26-14-10-9-11-15-26)22-32(45)31-23-41-18-19-42-31;1-38(2,3)35(43-36(49)27(23-8-5-4-6-9-23)19-29(45)28-20-41-14-15-42-28)37(50)44-21-24-10-7-11-26(24)33(44)30(46)17-25(18-32(39)40)34(48)31(47)16-22-12-13-22;1-5-10-24(34(48)29(43)15-16-32(46)47)19-31(45)33-26-14-9-13-25(26)22-42(33)37(50)35(38(2,3)4)41-36(49)27(23-11-7-6-8-12-23)20-30(44)28-21-39-17-18-40-28;1-8-9-23(32(45)30(44)16-22-10-11-22)17-29(43)31-24-12-13-37(7,48)26(24)20-41(31)35(47)33(36(4,5)6)40-34(46)25(21(2)3)18-28(42)27-19-38-14-15-39-27/h6,8-9,14-15,20-21,26,29-34,39,41H,5,7,10-13,16-19,22-25,27H2,1-4H3,(H,48,54)(H,56,57);18-19,23,25-30,35,37H,7-17,20-22,24H2,1-6H3,(H,43,49);14-15,20,22-27,32-33,35H,4-13,16-19,21H2,1-3H3,(H,43,49);17-18,21,23-27,33,35H,5-16,19-20,22H2,1-4H3,(H,41,49)(H,46,47);14-15,19,21-26,31,33,48H,8-13,16-18,20H2,1-7H3,(H,40,46)/t30?,31-,32+,33-,34+,39-,41+;25-,27?,28-,29-,30+,35-,37+;24-,25?,26-,27+,33-,35+;24?,25-,26-,27+,33-,35+;23?,24-,25+,26-,31-,33+,37+/m00000/s1
InChIKeyGNFSEXJNZKDAMY-UEITUTSRSA-N
MW3538.52 g/mol
LogP27.11
Rot. Bonds85

About (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

(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 (PubChem CID 158307271) has the molecular formula C198H280F2N20O35 and a molecular weight of 3538.52 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID158307271
Molecular FormulaC198H280F2N20O35
Molecular Weight3538.52 g/mol
Exact Mass3536.07
IUPAC Name(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
SMILESCC(C)(C)[C@H](NC(=O)[C@H](CC(=O)c1cnccn1)C1CCCCC1)C(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)CC(CC(F)F)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)c1cnccn1)C1CCCCC1)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)c1cnccn1)C1CCCCC1)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)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)C[C@@H](Cc1ccccc1)C(=O)O.CCCC(CC(=O)[C@@H]1[C@H]2CC[C@@](C)(O)[C@H]2CN1C(=O)[C@@H](NC(=O)[C@H](CC(=O)c1cnccn1)C(C)C)C(C)(C)C)C(=O)C(=O)CC1CC1
InChIInChI=1S/C45H60N4O8.C40H60N4O6.C38H52F2N4O6.C38H54N4O8.C37H54N4O7/c1-5-13-30(40(53)38(52)24-32(44(56)57)22-28-14-8-6-9-15-28)23-37(51)39-33-19-12-18-31(33)27-49(39)43(55)41(45(2,3)4)48-42(54)34(29-16-10-7-11-17-29)25-36(50)35-26-46-20-21-47-35;1-7-13-27(36(48)34(47)20-25(3)8-2)21-33(46)35-29-17-12-16-28(29)24-44(35)39(50)37(40(4,5)6)43-38(49)30(26-14-10-9-11-15-26)22-32(45)31-23-41-18-19-42-31;1-38(2,3)35(43-36(49)27(23-8-5-4-6-9-23)19-29(45)28-20-41-14-15-42-28)37(50)44-21-24-10-7-11-26(24)33(44)30(46)17-25(18-32(39)40)34(48)31(47)16-22-12-13-22;1-5-10-24(34(48)29(43)15-16-32(46)47)19-31(45)33-26-14-9-13-25(26)22-42(33)37(50)35(38(2,3)4)41-36(49)27(23-11-7-6-8-12-23)20-30(44)28-21-39-17-18-40-28;1-8-9-23(32(45)30(44)16-22-10-11-22)17-29(43)31-24-12-13-37(7,48)26(24)20-41(31)35(47)33(36(4,5)6)40-34(46)25(21(2)3)18-28(42)27-19-38-14-15-39-27/h6,8-9,14-15,20-21,26,29-34,39,41H,5,7,10-13,16-19,22-25,27H2,1-4H3,(H,48,54)(H,56,57);18-19,23,25-30,35,37H,7-17,20-22,24H2,1-6H3,(H,43,49);14-15,20,22-27,32-33,35H,4-13,16-19,21H2,1-3H3,(H,43,49);17-18,21,23-27,33,35H,5-16,19-20,22H2,1-4H3,(H,41,49)(H,46,47);14-15,19,21-26,31,33,48H,8-13,16-18,20H2,1-7H3,(H,40,46)/t30?,31-,32+,33-,34+,39-,41+;25-,27?,28-,29-,30+,35-,37+;24-,25?,26-,27+,33-,35+;24?,25-,26-,27+,33-,35+;23?,24-,25+,26-,31-,33+,37+/m00000/s1
InChIKeyGNFSEXJNZKDAMY-UEITUTSRSA-N
XLogP27.11
TPSA812.18 Ų
H-Bond Donors8
H-Bond Acceptors43
Rotatable Bonds85
Heavy Atoms255
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003538.52
LogP ≤ 527.11
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1043

Analyze (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 with MolForge

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Related Compounds

(2S)-N-[(2S)-1-[(3S,3aS,6aR)-3-[(3S)-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-4-pyrazin-2-ylbutanamide
CID 163778249
(2S)-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-cyclohexyl-4-oxo-4-pyrazin-2-ylbutanamide
CID 157409744
(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
(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
(2S)-N-[1-[(3S,3aS,6aR)-3-[(3R)-4,5-dioxo-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
CID 58385792
(2S)-N-[(2S)-1-[(3S,3aS)-3-[(3R,7R)-7-(4-methylphenyl)-4,5-dioxo-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
CID 157198985
(2R)-N-[(2S)-1-[(3S,3aS)-3-[(3S,7S)-7-(4-methylphenyl)-4,5-dioxo-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
CID 157198980
(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
(2S)-N-[(2S)-1-[(3S,3aS)-3-[(3R)-6-cyclopropyl-4,5-dioxo-3-propylhexanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxopentan-2-yl]-2-cyclohexyl-4-oxo-4-pyrazin-2-ylbutanamide
CID 159467477
(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,6R)-2-benzyl-6-[2-[(3S)-2-[(2S)-2-[[(2S)-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
CID 158584814
(2S)-N-[(2S)-1-[(3S,3aS,6aR)-3-(6-cyclopropyl-5-oxo-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-4-pyrazin-2-ylbutanamide;deuterium monohydride;ethane
CID 163988523

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(C)(C)[C@H](NC(=O)[C@H](CC(=O)c1cnccn1)C1CCCCC1)C(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)CC(CC(F)F)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)c1cnccn1)C1CCCCC1)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)c1cnccn1)C1CCCCC1)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)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)C[C@@H](Cc1ccccc1)C(=O)O.CCCC(CC(=O)[C@@H]1[C@H]2CC[C@@](C)(O)[C@H]2CN1C(=O)[C@@H](NC(=O)[C@H](CC(=O)c1cnccn1)C(C)C)C(C)(C)C)C(=O)C(=O)CC1CC1.
What is the InChIKey of (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?
The InChIKey is GNFSEXJNZKDAMY-UEITUTSRSA-N. The full InChI is InChI=1S/C45H60N4O8.C40H60N4O6.C38H52F2N4O6.C38H54N4O8.C37H54N4O7/c1-5-13-30(40(53)38(52)24-32(44(56)57)22-28-14-8-6-9-15-28)23-37(51)39-33-19-12-18-31(33)27-49(39)43(55)41(45(2,3)4)48-42(54)34(29-16-10-7-11-17-29)25-36(50)35-26-46-20-21-47-35;1-7-13-27(36(48)34(47)20-25(3)8-2)21-33(46)35-29-17-12-16-28(29)24-44(35)39(50)37(40(4,5)6)43-38(49)30(26-14-10-9-11-15-26)22-32(45)31-23-41-18-19-42-31;1-38(2,3)35(43-36(49)27(23-8-5-4-6-9-23)19-29(45)28-20-41-14-15-42-28)37(50)44-21-24-10-7-11-26(24)33(44)30(46)17-25(18-32(39)40)34(48)31(47)16-22-12-13-22;1-5-10-24(34(48)29(43)15-16-32(46)47)19-31(45)33-26-14-9-13-25(26)22-42(33)37(50)35(38(2,3)4)41-36(49)27(23-11-7-6-8-12-23)20-30(44)28-21-39-17-18-40-28;1-8-9-23(32(45)30(44)16-22-10-11-22)17-29(43)31-24-12-13-37(7,48)26(24)20-41(31)35(47)33(36(4,5)6)40-34(46)25(21(2)3)18-28(42)27-19-38-14-15-39-27/h6,8-9,14-15,20-21,26,29-34,39,41H,5,7,10-13,16-19,22-25,27H2,1-4H3,(H,48,54)(H,56,57);18-19,23,25-30,35,37H,7-17,20-22,24H2,1-6H3,(H,43,49);14-15,20,22-27,32-33,35H,4-13,16-19,21H2,1-3H3,(H,43,49);17-18,21,23-27,33,35H,5-16,19-20,22H2,1-4H3,(H,41,49)(H,46,47);14-15,19,21-26,31,33,48H,8-13,16-18,20H2,1-7H3,(H,40,46)/t30?,31-,32+,33-,34+,39-,41+;25-,27?,28-,29-,30+,35-,37+;24-,25?,26-,27+,33-,35+;24?,25-,26-,27+,33-,35+;23?,24-,25+,26-,31-,33+,37+/m00000/s1.
What are the key properties of (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?
(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 has a molecular weight of 3538.52 g/mol, XLogP of 27.11, 85 rotatable bonds, 8 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 158307271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).