(3S,3aS,6aR)-N-[(2S)-1-[(3R,3aR,6aR)-2-oxo-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3-yl]-4-hydroxy-3-oxobutan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-1-[(1R,2S)-2-methyl-6-oxocyclohexyl]-3-oxopentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-1-[(1R,2S)-2-methyl-5-oxocyclopentyl]-3-oxopentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S,2R,5S)-3-oxo-2-bicyclo[3.2.0]heptanyl]pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S,2R,5S)-3-oxo-2-bicyclo[3.1.0]hexanyl]pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide

C147H184N16O26 — CID 163497995

IUPAC(3S,3aS,6aR)-N-[(2S)-1-[(3R,3aR,6aR)-2-oxo-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3-yl]-4-hydroxy-3-oxobutan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-1-[(1R,2S)-2-methyl-6-oxocyclohexyl]-3-oxopentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-1-[(1R,2S)-2-methyl-5-oxocyclopentyl]-3-oxopentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S,2R,5S)-3-oxo-2-bicyclo[3.2.0]heptanyl]pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S,2R,5S)-3-oxo-2-bicyclo[3.1.0]hexanyl]pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
SMILESCCC(=O)[C@H](C[C@H]1C(=O)CCC[C@@H]1C)NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1cc2c(OC)cccc2[nH]1.CCC(=O)[C@H](C[C@H]1C(=O)CC[C@@H]1C)NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1cc2c(OC)cccc2[nH]1.CCC(=O)[C@H](C[C@H]1C(=O)C[C@@H]2CC[C@@H]21)NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1cc2c(OC)cccc2[nH]1.CCC(=O)[C@H](C[C@H]1C(=O)C[C@@H]2C[C@@H]21)NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1cc2c(OC)cccc2[nH]1.COc1cccc2[nH]c(C(=O)N3C[C@@H]4CCC[C@@H]4[C@H]3C(=O)N[C@@H](C[C@H]3C(=O)N[C@@H]4CCC[C@@H]43)C(=O)CO)cc12
InChIInChI=1S/C30H37N3O5.C30H39N3O5.C29H36N4O6.C29H35N3O5.C29H37N3O5/c1-3-25(34)23(13-20-18-11-10-16(18)12-26(20)35)32-29(36)28-19-7-4-6-17(19)15-33(28)30(37)24-14-21-22(31-24)8-5-9-27(21)38-2;1-4-25(34)23(14-20-17(2)8-5-12-26(20)35)32-29(36)28-19-10-6-9-18(19)16-33(28)30(37)24-15-21-22(31-24)11-7-13-27(21)38-3;1-39-25-10-4-9-21-19(25)12-23(30-21)29(38)33-13-15-5-2-6-16(15)26(33)28(37)32-22(24(35)14-34)11-18-17-7-3-8-20(17)31-27(18)36;1-3-24(33)22(12-19-18-10-16(18)11-25(19)34)31-28(35)27-17-7-4-6-15(17)14-32(27)29(36)23-13-20-21(30-23)8-5-9-26(20)37-2;1-4-24(33)22(13-19-16(2)11-12-25(19)34)31-28(35)27-18-8-5-7-17(18)15-32(27)29(36)23-14-20-21(30-23)9-6-10-26(20)37-3/h5,8-9,14,16-20,23,28,31H,3-4,6-7,10-13,15H2,1-2H3,(H,32,36);7,11,13,15,17-20,23,28,31H,4-6,8-10,12,14,16H2,1-3H3,(H,32,36);4,9-10,12,15-18,20,22,26,30,34H,2-3,5-8,11,13-14H2,1H3,(H,31,36)(H,32,37);5,8-9,13,15-19,22,27,30H,3-4,6-7,10-12,14H2,1-2H3,(H,31,35);6,9-10,14,16-19,22,27,30H,4-5,7-8,11-13,15H2,1-3H3,(H,31,35)/t16-,17-,18-,19-,20+,23-,28-;17-,18-,19-,20+,23-,28-;15-,16-,17+,18+,20+,22-,26-;15-,16-,17-,18-,19+,22-,27-;16-,17-,18-,19+,22-,27-/m00000/s1
InChIKeyCSIYUMFIJKWKBC-YYWDWQDKSA-N
MW2591.17 g/mol
LogP17.31
Rot. Bonds40

About (3S,3aS,6aR)-N-[(2S)-1-[(3R,3aR,6aR)-2-oxo-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3-yl]-4-hydroxy-3-oxobutan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-1-[(1R,2S)-2-methyl-6-oxocyclohexyl]-3-oxopentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-1-[(1R,2S)-2-methyl-5-oxocyclopentyl]-3-oxopentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S,2R,5S)-3-oxo-2-bicyclo[3.2.0]heptanyl]pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S,2R,5S)-3-oxo-2-bicyclo[3.1.0]hexanyl]pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide

(3S,3aS,6aR)-N-[(2S)-1-[(3R,3aR,6aR)-2-oxo-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3-yl]-4-hydroxy-3-oxobutan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-1-[(1R,2S)-2-methyl-6-oxocyclohexyl]-3-oxopentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-1-[(1R,2S)-2-methyl-5-oxocyclopentyl]-3-oxopentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S,2R,5S)-3-oxo-2-bicyclo[3.2.0]heptanyl]pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S,2R,5S)-3-oxo-2-bicyclo[3.1.0]hexanyl]pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide (PubChem CID 163497995) has the molecular formula C147H184N16O26 and a molecular weight of 2591.17 g/mol. Its IUPAC name is (3S,3aS,6aR)-N-[(2S)-1-[(3R,3aR,6aR)-2-oxo-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3-yl]-4-hydroxy-3-oxobutan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-1-[(1R,2S)-2-methyl-6-oxocyclohexyl]-3-oxopentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-1-[(1R,2S)-2-methyl-5-oxocyclopentyl]-3-oxopentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S,2R,5S)-3-oxo-2-bicyclo[3.2.0]heptanyl]pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S,2R,5S)-3-oxo-2-bicyclo[3.1.0]hexanyl]pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide.

Molecular Properties

Compound Name(3S,3aS,6aR)-N-[(2S)-1-[(3R,3aR,6aR)-2-oxo-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3-yl]-4-hydroxy-3-oxobutan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-1-[(1R,2S)-2-methyl-6-oxocyclohexyl]-3-oxopentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-1-[(1R,2S)-2-methyl-5-oxocyclopentyl]-3-oxopentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S,2R,5S)-3-oxo-2-bicyclo[3.2.0]heptanyl]pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S,2R,5S)-3-oxo-2-bicyclo[3.1.0]hexanyl]pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
PubChem CID163497995
Molecular FormulaC147H184N16O26
Molecular Weight2591.17 g/mol
Exact Mass2589.36
IUPAC Name(3S,3aS,6aR)-N-[(2S)-1-[(3R,3aR,6aR)-2-oxo-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3-yl]-4-hydroxy-3-oxobutan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-1-[(1R,2S)-2-methyl-6-oxocyclohexyl]-3-oxopentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-1-[(1R,2S)-2-methyl-5-oxocyclopentyl]-3-oxopentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S,2R,5S)-3-oxo-2-bicyclo[3.2.0]heptanyl]pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S,2R,5S)-3-oxo-2-bicyclo[3.1.0]hexanyl]pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
SMILESCCC(=O)[C@H](C[C@H]1C(=O)CCC[C@@H]1C)NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1cc2c(OC)cccc2[nH]1.CCC(=O)[C@H](C[C@H]1C(=O)CC[C@@H]1C)NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1cc2c(OC)cccc2[nH]1.CCC(=O)[C@H](C[C@H]1C(=O)C[C@@H]2CC[C@@H]21)NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1cc2c(OC)cccc2[nH]1.CCC(=O)[C@H](C[C@H]1C(=O)C[C@@H]2C[C@@H]21)NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1cc2c(OC)cccc2[nH]1.COc1cccc2[nH]c(C(=O)N3C[C@@H]4CCC[C@@H]4[C@H]3C(=O)N[C@@H](C[C@H]3C(=O)N[C@@H]4CCC[C@@H]43)C(=O)CO)cc12
InChIInChI=1S/C30H37N3O5.C30H39N3O5.C29H36N4O6.C29H35N3O5.C29H37N3O5/c1-3-25(34)23(13-20-18-11-10-16(18)12-26(20)35)32-29(36)28-19-7-4-6-17(19)15-33(28)30(37)24-14-21-22(31-24)8-5-9-27(21)38-2;1-4-25(34)23(14-20-17(2)8-5-12-26(20)35)32-29(36)28-19-10-6-9-18(19)16-33(28)30(37)24-15-21-22(31-24)11-7-13-27(21)38-3;1-39-25-10-4-9-21-19(25)12-23(30-21)29(38)33-13-15-5-2-6-16(15)26(33)28(37)32-22(24(35)14-34)11-18-17-7-3-8-20(17)31-27(18)36;1-3-24(33)22(12-19-18-10-16(18)11-25(19)34)31-28(35)27-17-7-4-6-15(17)14-32(27)29(36)23-13-20-21(30-23)8-5-9-26(20)37-2;1-4-24(33)22(13-19-16(2)11-12-25(19)34)31-28(35)27-18-8-5-7-17(18)15-32(27)29(36)23-14-20-21(30-23)9-6-10-26(20)37-3/h5,8-9,14,16-20,23,28,31H,3-4,6-7,10-13,15H2,1-2H3,(H,32,36);7,11,13,15,17-20,23,28,31H,4-6,8-10,12,14,16H2,1-3H3,(H,32,36);4,9-10,12,15-18,20,22,26,30,34H,2-3,5-8,11,13-14H2,1H3,(H,31,36)(H,32,37);5,8-9,13,15-19,22,27,30H,3-4,6-7,10-12,14H2,1-2H3,(H,31,35);6,9-10,14,16-19,22,27,30H,4-5,7-8,11-13,15H2,1-3H3,(H,31,35)/t16-,17-,18-,19-,20+,23-,28-;17-,18-,19-,20+,23-,28-;15-,16-,17+,18+,20+,22-,26-;15-,16-,17-,18-,19+,22-,27-;16-,17-,18-,19+,22-,27-/m00000/s1
InChIKeyCSIYUMFIJKWKBC-YYWDWQDKSA-N
XLogP17.31
TPSA575.11 Ų
H-Bond Donors12
H-Bond Acceptors26
Rotatable Bonds40
Heavy Atoms189
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002591.17
LogP ≤ 517.31
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1026

Analyze (3S,3aS,6aR)-N-[(2S)-1-[(3R,3aR,6aR)-2-oxo-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3-yl]-4-hydroxy-3-oxobutan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-1-[(1R,2S)-2-methyl-6-oxocyclohexyl]-3-oxopentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-1-[(1R,2S)-2-methyl-5-oxocyclopentyl]-3-oxopentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S,2R,5S)-3-oxo-2-bicyclo[3.2.0]heptanyl]pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S,2R,5S)-3-oxo-2-bicyclo[3.1.0]hexanyl]pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(3S,3aS,6aR)-N-[(2S)-4-hydroxy-1-[(1R,2S)-2-methyl-6-oxocyclohexyl]-3-oxobutan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
CID 163456766
(3S,3aS,6aR)-2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1R,4R,5R)-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl]pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
CID 163916208
(3S,3aS,6aR)-2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-1-[(1S,5R)-5-methyl-2-oxocyclohexyl]-3-oxopentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
CID 163839407
(1S,3aR,7aS)-2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclopentyl]pentan-2-yl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-1-carboxamide
CID 163596197
(3S,3aS,6aR)-N-[4-hydroxy-3-oxo-1-(2-oxopiperidin-3-yl)butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
CID 166936350
(3S,3aS,6aR)-2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(6S)-7-oxospiro[2.5]octan-6-yl]pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
CID 163562758
(1S,3aR,7aS)-N-[4-hydroxy-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-1,3,3a,4,5,6,7,7a-octahydroisoindole-1-carboxamide
CID 166936494
2-(6-chloro-4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(5-oxo-4-azaspiro[2.4]heptan-6-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4,6-dichloro-1H-indole-2-carbonyl)-N-[3-oxo-1-(5-oxo-4-azaspiro[2.4]heptan-6-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[4-methyl-3-oxo-1-(2-oxocyclopentyl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(3-oxo-2-azabicyclo[3.2.0]heptan-4-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(3-oxo-2-azabicyclo[3.1.0]hexan-4-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
CID 163434604
(3S,3aS,6aR)-2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S)-2-oxocyclohexyl]hexan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
CID 163987718
(3S,3aS,6aR)-N-[(2S)-4-(2,2-difluoropropylamino)-3,4-dioxo-1-[(1S)-2-oxocyclopentyl]butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
CID 163836752
N-[4-(2,2-difluoropropylamino)-3,4-dioxo-1-(2-oxocyclopentyl)butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
CID 163936102
[3-[[2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carbonyl]amino]-2-oxo-4-(2-oxocyclopentyl)butoxy]-methylphosphinic acid
CID 163923389

Frequently Asked Questions

What is the IUPAC name of (3S,3aS,6aR)-N-[(2S)-1-[(3R,3aR,6aR)-2-oxo-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3-yl]-4-hydroxy-3-oxobutan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-1-[(1R,2S)-2-methyl-6-oxocyclohexyl]-3-oxopentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-1-[(1R,2S)-2-methyl-5-oxocyclopentyl]-3-oxopentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S,2R,5S)-3-oxo-2-bicyclo[3.2.0]heptanyl]pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S,2R,5S)-3-oxo-2-bicyclo[3.1.0]hexanyl]pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide?
The IUPAC name of (3S,3aS,6aR)-N-[(2S)-1-[(3R,3aR,6aR)-2-oxo-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3-yl]-4-hydroxy-3-oxobutan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-1-[(1R,2S)-2-methyl-6-oxocyclohexyl]-3-oxopentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-1-[(1R,2S)-2-methyl-5-oxocyclopentyl]-3-oxopentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S,2R,5S)-3-oxo-2-bicyclo[3.2.0]heptanyl]pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S,2R,5S)-3-oxo-2-bicyclo[3.1.0]hexanyl]pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide (CID 163497995) is (3S,3aS,6aR)-N-[(2S)-1-[(3R,3aR,6aR)-2-oxo-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3-yl]-4-hydroxy-3-oxobutan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-1-[(1R,2S)-2-methyl-6-oxocyclohexyl]-3-oxopentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-1-[(1R,2S)-2-methyl-5-oxocyclopentyl]-3-oxopentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S,2R,5S)-3-oxo-2-bicyclo[3.2.0]heptanyl]pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S,2R,5S)-3-oxo-2-bicyclo[3.1.0]hexanyl]pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide.
What is the SMILES notation for (3S,3aS,6aR)-N-[(2S)-1-[(3R,3aR,6aR)-2-oxo-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3-yl]-4-hydroxy-3-oxobutan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-1-[(1R,2S)-2-methyl-6-oxocyclohexyl]-3-oxopentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-1-[(1R,2S)-2-methyl-5-oxocyclopentyl]-3-oxopentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S,2R,5S)-3-oxo-2-bicyclo[3.2.0]heptanyl]pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S,2R,5S)-3-oxo-2-bicyclo[3.1.0]hexanyl]pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide?
The canonical SMILES for (3S,3aS,6aR)-N-[(2S)-1-[(3R,3aR,6aR)-2-oxo-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3-yl]-4-hydroxy-3-oxobutan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-1-[(1R,2S)-2-methyl-6-oxocyclohexyl]-3-oxopentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-1-[(1R,2S)-2-methyl-5-oxocyclopentyl]-3-oxopentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S,2R,5S)-3-oxo-2-bicyclo[3.2.0]heptanyl]pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S,2R,5S)-3-oxo-2-bicyclo[3.1.0]hexanyl]pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide is CCC(=O)[C@H](C[C@H]1C(=O)CCC[C@@H]1C)NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1cc2c(OC)cccc2[nH]1.CCC(=O)[C@H](C[C@H]1C(=O)CC[C@@H]1C)NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1cc2c(OC)cccc2[nH]1.CCC(=O)[C@H](C[C@H]1C(=O)C[C@@H]2CC[C@@H]21)NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1cc2c(OC)cccc2[nH]1.CCC(=O)[C@H](C[C@H]1C(=O)C[C@@H]2C[C@@H]21)NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1cc2c(OC)cccc2[nH]1.COc1cccc2[nH]c(C(=O)N3C[C@@H]4CCC[C@@H]4[C@H]3C(=O)N[C@@H](C[C@H]3C(=O)N[C@@H]4CCC[C@@H]43)C(=O)CO)cc12.
What is the InChIKey of (3S,3aS,6aR)-N-[(2S)-1-[(3R,3aR,6aR)-2-oxo-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3-yl]-4-hydroxy-3-oxobutan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-1-[(1R,2S)-2-methyl-6-oxocyclohexyl]-3-oxopentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-1-[(1R,2S)-2-methyl-5-oxocyclopentyl]-3-oxopentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S,2R,5S)-3-oxo-2-bicyclo[3.2.0]heptanyl]pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S,2R,5S)-3-oxo-2-bicyclo[3.1.0]hexanyl]pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide?
The InChIKey is CSIYUMFIJKWKBC-YYWDWQDKSA-N. The full InChI is InChI=1S/C30H37N3O5.C30H39N3O5.C29H36N4O6.C29H35N3O5.C29H37N3O5/c1-3-25(34)23(13-20-18-11-10-16(18)12-26(20)35)32-29(36)28-19-7-4-6-17(19)15-33(28)30(37)24-14-21-22(31-24)8-5-9-27(21)38-2;1-4-25(34)23(14-20-17(2)8-5-12-26(20)35)32-29(36)28-19-10-6-9-18(19)16-33(28)30(37)24-15-21-22(31-24)11-7-13-27(21)38-3;1-39-25-10-4-9-21-19(25)12-23(30-21)29(38)33-13-15-5-2-6-16(15)26(33)28(37)32-22(24(35)14-34)11-18-17-7-3-8-20(17)31-27(18)36;1-3-24(33)22(12-19-18-10-16(18)11-25(19)34)31-28(35)27-17-7-4-6-15(17)14-32(27)29(36)23-13-20-21(30-23)8-5-9-26(20)37-2;1-4-24(33)22(13-19-16(2)11-12-25(19)34)31-28(35)27-18-8-5-7-17(18)15-32(27)29(36)23-14-20-21(30-23)9-6-10-26(20)37-3/h5,8-9,14,16-20,23,28,31H,3-4,6-7,10-13,15H2,1-2H3,(H,32,36);7,11,13,15,17-20,23,28,31H,4-6,8-10,12,14,16H2,1-3H3,(H,32,36);4,9-10,12,15-18,20,22,26,30,34H,2-3,5-8,11,13-14H2,1H3,(H,31,36)(H,32,37);5,8-9,13,15-19,22,27,30H,3-4,6-7,10-12,14H2,1-2H3,(H,31,35);6,9-10,14,16-19,22,27,30H,4-5,7-8,11-13,15H2,1-3H3,(H,31,35)/t16-,17-,18-,19-,20+,23-,28-;17-,18-,19-,20+,23-,28-;15-,16-,17+,18+,20+,22-,26-;15-,16-,17-,18-,19+,22-,27-;16-,17-,18-,19+,22-,27-/m00000/s1.
What are the key properties of (3S,3aS,6aR)-N-[(2S)-1-[(3R,3aR,6aR)-2-oxo-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3-yl]-4-hydroxy-3-oxobutan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-1-[(1R,2S)-2-methyl-6-oxocyclohexyl]-3-oxopentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-1-[(1R,2S)-2-methyl-5-oxocyclopentyl]-3-oxopentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S,2R,5S)-3-oxo-2-bicyclo[3.2.0]heptanyl]pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S,2R,5S)-3-oxo-2-bicyclo[3.1.0]hexanyl]pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide?
(3S,3aS,6aR)-N-[(2S)-1-[(3R,3aR,6aR)-2-oxo-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3-yl]-4-hydroxy-3-oxobutan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-1-[(1R,2S)-2-methyl-6-oxocyclohexyl]-3-oxopentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-1-[(1R,2S)-2-methyl-5-oxocyclopentyl]-3-oxopentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S,2R,5S)-3-oxo-2-bicyclo[3.2.0]heptanyl]pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S,2R,5S)-3-oxo-2-bicyclo[3.1.0]hexanyl]pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide has a molecular weight of 2591.17 g/mol, XLogP of 17.31, 40 rotatable bonds, 12 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3aS,6aR)-N-[(2S)-1-[(3R,3aR,6aR)-2-oxo-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3-yl]-4-hydroxy-3-oxobutan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-1-[(1R,2S)-2-methyl-6-oxocyclohexyl]-3-oxopentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-1-[(1R,2S)-2-methyl-5-oxocyclopentyl]-3-oxopentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S,2R,5S)-3-oxo-2-bicyclo[3.2.0]heptanyl]pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4-methoxy-1H-indole-2-carbonyl)-N-[(2S)-3-oxo-1-[(1S,2R,5S)-3-oxo-2-bicyclo[3.1.0]hexanyl]pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide is sourced from PubChem (CID 163497995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).