(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

C231H316N24O38 — CID 158944037

IUPAC(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
SMILESCCCC(CC(=O)[C@@H]1[C@H]2CC=C[C@H]2CN1C(=O)[C@@H](NC(=O)C(CC(=O)c1cnccn1)C(C)C)C(C)(C)C)C(=O)C(=O)C[C@@H](C)c1ccccc1.CCCC(CC(=O)[C@@H]1[C@H]2CC=C[C@H]2CN1C(=O)[C@@H](NC(=O)C(CC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)C[C@@H](C)c1ccccc1.CCCC(CC(=O)[C@@H]1[C@H]2CC=C[C@H]2CN1C(=O)[C@@H](NC(=O)C(CC(=O)c1cnccn1)C(C)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@H]2CN1C(=O)[C@@H](NC(=O)[C@H](CC(=O)c1cnccn1)C(C)C)C(C)(C)C)C(=O)C(=O)C[C@@H](C)CC.CCCC(CC(=O)[C@@H]1[C@H]2CC=C[C@H]2CN1C(=O)[C@@H](NC(=O)[C@H](CC(=O)c1cnccn1)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)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)CC1CCC1
InChIInChI=1S/C41H52N4O8.C41H54N4O6.C40H52N4O6.C37H54N4O6.2C36H52N4O6/c1-6-11-27(38(49)35(48)20-29(41(52)53)18-26-12-8-7-9-13-26)19-34(47)37-30-15-10-14-28(30)23-45(37)40(51)36(25(4)5)44-39(50)31(24(2)3)21-33(46)32-22-42-16-17-43-32;1-8-13-28(37(49)35(48)20-26(4)27-14-10-9-11-15-27)21-34(47)36-30-17-12-16-29(30)24-45(36)40(51)38(41(5,6)7)44-39(50)31(25(2)3)22-33(46)32-23-42-18-19-43-32;1-7-12-28(38(48)35(47)19-26(6)27-13-9-8-10-14-27)20-34(46)37-30-16-11-15-29(30)23-44(37)40(50)36(25(4)5)43-39(49)31(24(2)3)21-33(45)32-22-41-17-18-42-32;1-9-12-24(33(45)31(44)17-23(5)10-2)18-30(43)32-26-14-11-13-25(26)21-41(32)36(47)34(37(6,7)8)40-35(46)27(22(3)4)19-29(42)28-20-38-15-16-39-28;1-6-9-24(34(44)31(43)16-23-10-7-11-23)17-30(42)33-26-13-8-12-25(26)20-40(33)36(46)32(22(4)5)39-35(45)27(21(2)3)18-29(41)28-19-37-14-15-38-28;1-8-11-24(34(44)31(43)16-23(7)9-2)17-30(42)33-26-13-10-12-25(26)20-40(33)36(46)32(22(5)6)39-35(45)27(21(3)4)18-29(41)28-19-37-14-15-38-28/h7-10,12-14,16-17,22,24-25,27-31,36-37H,6,11,15,18-21,23H2,1-5H3,(H,44,50)(H,52,53);9-12,14-16,18-19,23,25-26,28-31,36,38H,8,13,17,20-22,24H2,1-7H3,(H,44,50);8-11,13-15,17-18,22,24-26,28-31,36-37H,7,12,16,19-21,23H2,1-6H3,(H,43,49);11,13,15-16,20,22-27,32,34H,9-10,12,14,17-19,21H2,1-8H3,(H,40,46);14-15,19,21-27,32-33H,6-13,16-18,20H2,1-5H3,(H,39,45);10,12,14-15,19,21-27,32-33H,8-9,11,13,16-18,20H2,1-7H3,(H,39,45)/t27?,28-,29+,30-,31?,36-,37-;26-,28?,29+,30+,31?,36+,38-;26-,28?,29+,30+,31?,36+,37+;23-,24?,25-,26-,27+,32-,34+;24?,25-,26-,27+,32-,33-;23-,24?,25-,26-,27+,32-,33-/m011000/s1
InChIKeyJKPHPBVVESAQLV-KGJMBLBASA-N
MW4037.20 g/mol
LogP31.06
Rot. Bonds107

About (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

(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 (PubChem CID 158944037) has the molecular formula C231H316N24O38 and a molecular weight of 4037.20 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID158944037
Molecular FormulaC231H316N24O38
Molecular Weight4037.20 g/mol
Exact Mass4034.35
IUPAC Name(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
SMILESCCCC(CC(=O)[C@@H]1[C@H]2CC=C[C@H]2CN1C(=O)[C@@H](NC(=O)C(CC(=O)c1cnccn1)C(C)C)C(C)(C)C)C(=O)C(=O)C[C@@H](C)c1ccccc1.CCCC(CC(=O)[C@@H]1[C@H]2CC=C[C@H]2CN1C(=O)[C@@H](NC(=O)C(CC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)C[C@@H](C)c1ccccc1.CCCC(CC(=O)[C@@H]1[C@H]2CC=C[C@H]2CN1C(=O)[C@@H](NC(=O)C(CC(=O)c1cnccn1)C(C)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@H]2CN1C(=O)[C@@H](NC(=O)[C@H](CC(=O)c1cnccn1)C(C)C)C(C)(C)C)C(=O)C(=O)C[C@@H](C)CC.CCCC(CC(=O)[C@@H]1[C@H]2CC=C[C@H]2CN1C(=O)[C@@H](NC(=O)[C@H](CC(=O)c1cnccn1)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)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)CC1CCC1
InChIInChI=1S/C41H52N4O8.C41H54N4O6.C40H52N4O6.C37H54N4O6.2C36H52N4O6/c1-6-11-27(38(49)35(48)20-29(41(52)53)18-26-12-8-7-9-13-26)19-34(47)37-30-15-10-14-28(30)23-45(37)40(51)36(25(4)5)44-39(50)31(24(2)3)21-33(46)32-22-42-16-17-43-32;1-8-13-28(37(49)35(48)20-26(4)27-14-10-9-11-15-27)21-34(47)36-30-17-12-16-29(30)24-45(36)40(51)38(41(5,6)7)44-39(50)31(25(2)3)22-33(46)32-23-42-18-19-43-32;1-7-12-28(38(48)35(47)19-26(6)27-13-9-8-10-14-27)20-34(46)37-30-16-11-15-29(30)23-44(37)40(50)36(25(4)5)43-39(49)31(24(2)3)21-33(45)32-22-41-17-18-42-32;1-9-12-24(33(45)31(44)17-23(5)10-2)18-30(43)32-26-14-11-13-25(26)21-41(32)36(47)34(37(6,7)8)40-35(46)27(22(3)4)19-29(42)28-20-38-15-16-39-28;1-6-9-24(34(44)31(43)16-23-10-7-11-23)17-30(42)33-26-13-8-12-25(26)20-40(33)36(46)32(22(4)5)39-35(45)27(21(2)3)18-29(41)28-19-37-14-15-38-28;1-8-11-24(34(44)31(43)16-23(7)9-2)17-30(42)33-26-13-10-12-25(26)20-40(33)36(46)32(22(5)6)39-35(45)27(21(3)4)18-29(41)28-19-37-14-15-38-28/h7-10,12-14,16-17,22,24-25,27-31,36-37H,6,11,15,18-21,23H2,1-5H3,(H,44,50)(H,52,53);9-12,14-16,18-19,23,25-26,28-31,36,38H,8,13,17,20-22,24H2,1-7H3,(H,44,50);8-11,13-15,17-18,22,24-26,28-31,36-37H,7,12,16,19-21,23H2,1-6H3,(H,43,49);11,13,15-16,20,22-27,32,34H,9-10,12,14,17-19,21H2,1-8H3,(H,40,46);14-15,19,21-27,32-33H,6-13,16-18,20H2,1-5H3,(H,39,45);10,12,14-15,19,21-27,32-33H,8-9,11,13,16-18,20H2,1-7H3,(H,39,45)/t27?,28-,29+,30-,31?,36-,37-;26-,28?,29+,30+,31?,36+,38-;26-,28?,29+,30+,31?,36+,37+;23-,24?,25-,26-,27+,32-,34+;24?,25-,26-,27+,32-,33-;23-,24?,25-,26-,27+,32-,33-/m011000/s1
InChIKeyJKPHPBVVESAQLV-KGJMBLBASA-N
XLogP31.06
TPSA898.12 Ų
H-Bond Donors7
H-Bond Acceptors49
Rotatable Bonds107
Heavy Atoms293
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004037.20
LogP ≤ 531.06
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1049

Analyze (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 with MolForge

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Related Compounds

(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
(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
(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
(2R)-N-[(2S)-1-[(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
CID 160899377
(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)-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
(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,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
(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
(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
(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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CCCC(CC(=O)[C@@H]1[C@H]2CC=C[C@H]2CN1C(=O)[C@@H](NC(=O)C(CC(=O)c1cnccn1)C(C)C)C(C)(C)C)C(=O)C(=O)C[C@@H](C)c1ccccc1.CCCC(CC(=O)[C@@H]1[C@H]2CC=C[C@H]2CN1C(=O)[C@@H](NC(=O)C(CC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)C[C@@H](C)c1ccccc1.CCCC(CC(=O)[C@@H]1[C@H]2CC=C[C@H]2CN1C(=O)[C@@H](NC(=O)C(CC(=O)c1cnccn1)C(C)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@H]2CN1C(=O)[C@@H](NC(=O)[C@H](CC(=O)c1cnccn1)C(C)C)C(C)(C)C)C(=O)C(=O)C[C@@H](C)CC.CCCC(CC(=O)[C@@H]1[C@H]2CC=C[C@H]2CN1C(=O)[C@@H](NC(=O)[C@H](CC(=O)c1cnccn1)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)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)CC1CCC1.
What is the InChIKey of (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?
The InChIKey is JKPHPBVVESAQLV-KGJMBLBASA-N. The full InChI is InChI=1S/C41H52N4O8.C41H54N4O6.C40H52N4O6.C37H54N4O6.2C36H52N4O6/c1-6-11-27(38(49)35(48)20-29(41(52)53)18-26-12-8-7-9-13-26)19-34(47)37-30-15-10-14-28(30)23-45(37)40(51)36(25(4)5)44-39(50)31(24(2)3)21-33(46)32-22-42-16-17-43-32;1-8-13-28(37(49)35(48)20-26(4)27-14-10-9-11-15-27)21-34(47)36-30-17-12-16-29(30)24-45(36)40(51)38(41(5,6)7)44-39(50)31(25(2)3)22-33(46)32-23-42-18-19-43-32;1-7-12-28(38(48)35(47)19-26(6)27-13-9-8-10-14-27)20-34(46)37-30-16-11-15-29(30)23-44(37)40(50)36(25(4)5)43-39(49)31(24(2)3)21-33(45)32-22-41-17-18-42-32;1-9-12-24(33(45)31(44)17-23(5)10-2)18-30(43)32-26-14-11-13-25(26)21-41(32)36(47)34(37(6,7)8)40-35(46)27(22(3)4)19-29(42)28-20-38-15-16-39-28;1-6-9-24(34(44)31(43)16-23-10-7-11-23)17-30(42)33-26-13-8-12-25(26)20-40(33)36(46)32(22(4)5)39-35(45)27(21(2)3)18-29(41)28-19-37-14-15-38-28;1-8-11-24(34(44)31(43)16-23(7)9-2)17-30(42)33-26-13-10-12-25(26)20-40(33)36(46)32(22(5)6)39-35(45)27(21(3)4)18-29(41)28-19-37-14-15-38-28/h7-10,12-14,16-17,22,24-25,27-31,36-37H,6,11,15,18-21,23H2,1-5H3,(H,44,50)(H,52,53);9-12,14-16,18-19,23,25-26,28-31,36,38H,8,13,17,20-22,24H2,1-7H3,(H,44,50);8-11,13-15,17-18,22,24-26,28-31,36-37H,7,12,16,19-21,23H2,1-6H3,(H,43,49);11,13,15-16,20,22-27,32,34H,9-10,12,14,17-19,21H2,1-8H3,(H,40,46);14-15,19,21-27,32-33H,6-13,16-18,20H2,1-5H3,(H,39,45);10,12,14-15,19,21-27,32-33H,8-9,11,13,16-18,20H2,1-7H3,(H,39,45)/t27?,28-,29+,30-,31?,36-,37-;26-,28?,29+,30+,31?,36+,38-;26-,28?,29+,30+,31?,36+,37+;23-,24?,25-,26-,27+,32-,34+;24?,25-,26-,27+,32-,33-;23-,24?,25-,26-,27+,32-,33-/m011000/s1.
What are the key properties of (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?
(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 has a molecular weight of 4037.20 g/mol, XLogP of 31.06, 107 rotatable bonds, 7 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 158944037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).