(3S,3aS,6aR)-2-(3,6-dihydro-2H-furo[2,3-e]indole-7-carbonyl)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-2-(1H-pyrrolo[3,2-b]pyridine-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;4-cyclopropyl-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-2-azabicyclo[2.1.1]hexane-1-carboxamide;(1S,2S,3S,6R,7R)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-4-(4-methoxy-1H-indole-2-carbonyl)-4-azatricyclo[5.2.1.02,6]decane-3-carboxamide;(1R,2S,3S,6R,7S)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-4-(4-methoxy-1H-indole-2-carbonyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide

C134H159N21O29 — CID 163823674

About (3S,3aS,6aR)-2-(3,6-dihydro-2H-furo[2,3-e]indole-7-carbonyl)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-2-(1H-pyrrolo[3,2-b]pyridine-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;4-cyclopropyl-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-2-azabicyclo[2.1.1]hexane-1-carboxamide;(1S,2S,3S,6R,7R)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-4-(4-methoxy-1H-indole-2-carbonyl)-4-azatricyclo[5.2.1.02,6]decane-3-carboxamide;(1R,2S,3S,6R,7S)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-4-(4-methoxy-1H-indole-2-carbonyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide

(3S,3aS,6aR)-2-(3,6-dihydro-2H-furo[2,3-e]indole-7-carbonyl)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-2-(1H-pyrrolo[3,2-b]pyridine-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;4-cyclopropyl-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-2-azabicyclo[2.1.1]hexane-1-carboxamide;(1S,2S,3S,6R,7R)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-4-(4-methoxy-1H-indole-2-carbonyl)-4-azatricyclo[5.2.1.02,6]decane-3-carboxamide;(1R,2S,3S,6R,7S)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-4-(4-methoxy-1H-indole-2-carbonyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide (PubChem CID 163823674) has the molecular formula C134H159N21O29 and a molecular weight of 2527.86 g/mol. Its IUPAC name is (3S,3aS,6aR)-2-(3,6-dihydro-2H-furo[2,3-e]indole-7-carbonyl)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-2-(1H-pyrrolo[3,2-b]pyridine-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;4-cyclopropyl-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-2-azabicyclo[2.1.1]hexane-1-carboxamide;(1S,2S,3S,6R,7R)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-4-(4-methoxy-1H-indole-2-carbonyl)-4-azatricyclo[5.2.1.02,6]decane-3-carboxamide;(1R,2S,3S,6R,7S)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-4-(4-methoxy-1H-indole-2-carbonyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide.

Molecular Properties

• Compound Name: (3S,3aS,6aR)-2-(3,6-dihydro-2H-furo[2,3-e]indole-7-carbonyl)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-2-(1H-pyrrolo[3,2-b]pyridine-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;4-cyclopropyl-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-2-azabicyclo[2.1.1]hexane-1-carboxamide;(1S,2S,3S,6R,7R)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-4-(4-methoxy-1H-indole-2-carbonyl)-4-azatricyclo[5.2.1.02,6]decane-3-carboxamide;(1R,2S,3S,6R,7S)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-4-(4-methoxy-1H-indole-2-carbonyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide
• PubChem CID: 163823674
• Molecular Formula: C134H159N21O29
• Molecular Weight: 2527.86 g/mol
• Exact Mass: 2526.16
• IUPAC Name: (3S,3aS,6aR)-2-(3,6-dihydro-2H-furo[2,3-e]indole-7-carbonyl)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-2-(1H-pyrrolo[3,2-b]pyridine-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;4-cyclopropyl-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-2-azabicyclo[2.1.1]hexane-1-carboxamide;(1S,2S,3S,6R,7R)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-4-(4-methoxy-1H-indole-2-carbonyl)-4-azatricyclo[5.2.1.02,6]decane-3-carboxamide;(1R,2S,3S,6R,7S)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-4-(4-methoxy-1H-indole-2-carbonyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide
• SMILES: COc1cccc2[nH]c(C(=O)N3CC4(C5CC5)CC3(C(=O)N[C@@H](C[C@@H]3CCNC3=O)C(=O)CO)C4)cc12.COc1cccc2[nH]c(C(=O)N3C[C@@H]4[C@@H]5CC[C@@H](C5)[C@@H]4[C@H]3C(=O)N[C@@H](C[C@@H]3CCNC3=O)C(=O)CO)cc12.COc1cccc2[nH]c(C(=O)N3C[C@H]4[C@@H]([C@H]3C(=O)N[C@@H](C[C@@H]3CCNC3=O)C(=O)CO)[C@H]3C=C[C@@H]4C3)cc12.O=C1NCC[C@H]1C[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1cc2c3c(ccc2[nH]1)CCO3)C(=O)CO.O=C1NCC[C@H]1C[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1cc2ncccc2[nH]1)C(=O)CO
• InChI: InChI=1S/C28H34N4O6.C28H32N4O6.2C27H32N4O6.C24H29N5O5/c2*1-38-23-4-2-3-19-17(23)11-21(30-19)28(37)32-12-18-14-5-6-15(9-14)24(18)25(32)27(36)31-20(22(34)13-33)10-16-7-8-29-26(16)35;1-37-22-4-2-3-18-17(22)10-20(29-18)24(35)31-14-26(16-5-6-16)12-27(31,13-26)25(36)30-19(21(33)11-32)9-15-7-8-28-23(15)34;32-13-22(33)20(10-15-6-8-28-25(15)34)30-26(35)23-17-3-1-2-16(17)12-31(23)27(36)21-11-18-19(29-21)5-4-14-7-9-37-24(14)18;30-12-20(31)18(9-13-6-8-26-22(13)32)28-23(33)21-15-4-1-3-14(15)11-29(21)24(34)19-10-17-16(27-19)5-2-7-25-17/h2-4,11,14-16,18,20,24-25,30,33H,5-10,12-13H2,1H3,(H,29,35)(H,31,36);2-6,11,14-16,18,20,24-25,30,33H,7-10,12-13H2,1H3,(H,29,35)(H,31,36);2-4,10,15-16,19,29,32H,5-9,11-14H2,1H3,(H,28,34)(H,30,36);4-5,11,15-17,20,23,29,32H,1-3,6-10,12-13H2,(H,28,34)(H,30,35);2,5,7,10,13-15,18,21,27,30H,1,3-4,6,8-9,11-12H2,(H,26,32)(H,28,33)/t2*14-,15+,16+,18-,20+,24+,25+;15-,19-,26?,27?;15-,16-,17-,20-,23-;13-,14-,15-,18-,21-/m11000/s1
• InChIKey: NXOYWJYMSMPXHM-VLJSNAOWSA-N
• XLogP: 4.67
• TPSA: 707.81 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 30
• Rotatable Bonds: 39
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2527.86
LogP ≤ 5	4.67
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3S,3aS,6aR)-2-(3,6-dihydro-2H-furo[2,3-e]indole-7-carbonyl)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-2-(1H-pyrrolo[3,2-b]pyridine-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;4-cyclopropyl-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-2-azabicyclo[2.1.1]hexane-1-carboxamide;(1S,2S,3S,6R,7R)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-4-(4-methoxy-1H-indole-2-carbonyl)-4-azatricyclo[5.2.1.02,6]decane-3-carboxamide;(1R,2S,3S,6R,7S)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-4-(4-methoxy-1H-indole-2-carbonyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide?

The IUPAC name of (3S,3aS,6aR)-2-(3,6-dihydro-2H-furo[2,3-e]indole-7-carbonyl)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-2-(1H-pyrrolo[3,2-b]pyridine-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;4-cyclopropyl-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-2-azabicyclo[2.1.1]hexane-1-carboxamide;(1S,2S,3S,6R,7R)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-4-(4-methoxy-1H-indole-2-carbonyl)-4-azatricyclo[5.2.1.02,6]decane-3-carboxamide;(1R,2S,3S,6R,7S)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-4-(4-methoxy-1H-indole-2-carbonyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide (CID 163823674) is (3S,3aS,6aR)-2-(3,6-dihydro-2H-furo[2,3-e]indole-7-carbonyl)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-2-(1H-pyrrolo[3,2-b]pyridine-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;4-cyclopropyl-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-2-azabicyclo[2.1.1]hexane-1-carboxamide;(1S,2S,3S,6R,7R)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-4-(4-methoxy-1H-indole-2-carbonyl)-4-azatricyclo[5.2.1.02,6]decane-3-carboxamide;(1R,2S,3S,6R,7S)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-4-(4-methoxy-1H-indole-2-carbonyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide.

What is the SMILES notation for (3S,3aS,6aR)-2-(3,6-dihydro-2H-furo[2,3-e]indole-7-carbonyl)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-2-(1H-pyrrolo[3,2-b]pyridine-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;4-cyclopropyl-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-2-azabicyclo[2.1.1]hexane-1-carboxamide;(1S,2S,3S,6R,7R)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-4-(4-methoxy-1H-indole-2-carbonyl)-4-azatricyclo[5.2.1.02,6]decane-3-carboxamide;(1R,2S,3S,6R,7S)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-4-(4-methoxy-1H-indole-2-carbonyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide?

The canonical SMILES for (3S,3aS,6aR)-2-(3,6-dihydro-2H-furo[2,3-e]indole-7-carbonyl)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-2-(1H-pyrrolo[3,2-b]pyridine-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;4-cyclopropyl-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-2-azabicyclo[2.1.1]hexane-1-carboxamide;(1S,2S,3S,6R,7R)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-4-(4-methoxy-1H-indole-2-carbonyl)-4-azatricyclo[5.2.1.02,6]decane-3-carboxamide;(1R,2S,3S,6R,7S)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-4-(4-methoxy-1H-indole-2-carbonyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide is COc1cccc2[nH]c(C(=O)N3CC4(C5CC5)CC3(C(=O)N[C@@H](C[C@@H]3CCNC3=O)C(=O)CO)C4)cc12.COc1cccc2[nH]c(C(=O)N3C[C@@H]4[C@@H]5CC[C@@H](C5)[C@@H]4[C@H]3C(=O)N[C@@H](C[C@@H]3CCNC3=O)C(=O)CO)cc12.COc1cccc2[nH]c(C(=O)N3C[C@H]4[C@@H]([C@H]3C(=O)N[C@@H](C[C@@H]3CCNC3=O)C(=O)CO)[C@H]3C=C[C@@H]4C3)cc12.O=C1NCC[C@H]1C[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1cc2c3c(ccc2[nH]1)CCO3)C(=O)CO.O=C1NCC[C@H]1C[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1cc2ncccc2[nH]1)C(=O)CO.

What is the InChIKey of (3S,3aS,6aR)-2-(3,6-dihydro-2H-furo[2,3-e]indole-7-carbonyl)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-2-(1H-pyrrolo[3,2-b]pyridine-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;4-cyclopropyl-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-2-azabicyclo[2.1.1]hexane-1-carboxamide;(1S,2S,3S,6R,7R)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-4-(4-methoxy-1H-indole-2-carbonyl)-4-azatricyclo[5.2.1.02,6]decane-3-carboxamide;(1R,2S,3S,6R,7S)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-4-(4-methoxy-1H-indole-2-carbonyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide?

The InChIKey is NXOYWJYMSMPXHM-VLJSNAOWSA-N. The full InChI is InChI=1S/C28H34N4O6.C28H32N4O6.2C27H32N4O6.C24H29N5O5/c2*1-38-23-4-2-3-19-17(23)11-21(30-19)28(37)32-12-18-14-5-6-15(9-14)24(18)25(32)27(36)31-20(22(34)13-33)10-16-7-8-29-26(16)35;1-37-22-4-2-3-18-17(22)10-20(29-18)24(35)31-14-26(16-5-6-16)12-27(31,13-26)25(36)30-19(21(33)11-32)9-15-7-8-28-23(15)34;32-13-22(33)20(10-15-6-8-28-25(15)34)30-26(35)23-17-3-1-2-16(17)12-31(23)27(36)21-11-18-19(29-21)5-4-14-7-9-37-24(14)18;30-12-20(31)18(9-13-6-8-26-22(13)32)28-23(33)21-15-4-1-3-14(15)11-29(21)24(34)19-10-17-16(27-19)5-2-7-25-17/h2-4,11,14-16,18,20,24-25,30,33H,5-10,12-13H2,1H3,(H,29,35)(H,31,36);2-6,11,14-16,18,20,24-25,30,33H,7-10,12-13H2,1H3,(H,29,35)(H,31,36);2-4,10,15-16,19,29,32H,5-9,11-14H2,1H3,(H,28,34)(H,30,36);4-5,11,15-17,20,23,29,32H,1-3,6-10,12-13H2,(H,28,34)(H,30,35);2,5,7,10,13-15,18,21,27,30H,1,3-4,6,8-9,11-12H2,(H,26,32)(H,28,33)/t2*14-,15+,16+,18-,20+,24+,25+;15-,19-,26?,27?;15-,16-,17-,20-,23-;13-,14-,15-,18-,21-/m11000/s1.

What are the key properties of (3S,3aS,6aR)-2-(3,6-dihydro-2H-furo[2,3-e]indole-7-carbonyl)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-2-(1H-pyrrolo[3,2-b]pyridine-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;4-cyclopropyl-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-2-azabicyclo[2.1.1]hexane-1-carboxamide;(1S,2S,3S,6R,7R)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-4-(4-methoxy-1H-indole-2-carbonyl)-4-azatricyclo[5.2.1.02,6]decane-3-carboxamide;(1R,2S,3S,6R,7S)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-4-(4-methoxy-1H-indole-2-carbonyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide?

(3S,3aS,6aR)-2-(3,6-dihydro-2H-furo[2,3-e]indole-7-carbonyl)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-2-(1H-pyrrolo[3,2-b]pyridine-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;4-cyclopropyl-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-2-azabicyclo[2.1.1]hexane-1-carboxamide;(1S,2S,3S,6R,7R)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-4-(4-methoxy-1H-indole-2-carbonyl)-4-azatricyclo[5.2.1.02,6]decane-3-carboxamide;(1R,2S,3S,6R,7S)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-4-(4-methoxy-1H-indole-2-carbonyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide has a molecular weight of 2527.86 g/mol, XLogP of 4.67, 39 rotatable bonds, 20 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,3aS,6aR)-2-(3,6-dihydro-2H-furo[2,3-e]indole-7-carbonyl)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-2-(1H-pyrrolo[3,2-b]pyridine-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;4-cyclopropyl-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-2-azabicyclo[2.1.1]hexane-1-carboxamide;(1S,2S,3S,6R,7R)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-4-(4-methoxy-1H-indole-2-carbonyl)-4-azatricyclo[5.2.1.02,6]decane-3-carboxamide;(1R,2S,3S,6R,7S)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-4-(4-methoxy-1H-indole-2-carbonyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide is sourced from PubChem (CID 163823674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).