(3S,3aS,6aR)-2-(4,6-dichloro-1H-indole-2-carbonyl)-N-[(2S)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(4,4,4-trifluorobutylamino)butan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4,6-dichloro-1H-indole-2-carbonyl)-N-[(2S)-4-(4-methylpentylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(7S)-6-(1-benzofuran-2-carbonyl)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-6-azaspiro[2.5]octane-7-carboxamide;(7S)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-6-(4-cyclopropyl-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide;(7S)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-6-(4-methoxy-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide

C148H175Cl4F3N24O27 — CID 163551646

About (3S,3aS,6aR)-2-(4,6-dichloro-1H-indole-2-carbonyl)-N-[(2S)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(4,4,4-trifluorobutylamino)butan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4,6-dichloro-1H-indole-2-carbonyl)-N-[(2S)-4-(4-methylpentylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(7S)-6-(1-benzofuran-2-carbonyl)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-6-azaspiro[2.5]octane-7-carboxamide;(7S)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-6-(4-cyclopropyl-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide;(7S)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-6-(4-methoxy-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide

(3S,3aS,6aR)-2-(4,6-dichloro-1H-indole-2-carbonyl)-N-[(2S)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(4,4,4-trifluorobutylamino)butan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4,6-dichloro-1H-indole-2-carbonyl)-N-[(2S)-4-(4-methylpentylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(7S)-6-(1-benzofuran-2-carbonyl)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-6-azaspiro[2.5]octane-7-carboxamide;(7S)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-6-(4-cyclopropyl-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide;(7S)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-6-(4-methoxy-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide (PubChem CID 163551646) has the molecular formula C148H175Cl4F3N24O27 and a molecular weight of 2920.97 g/mol. Its IUPAC name is (3S,3aS,6aR)-2-(4,6-dichloro-1H-indole-2-carbonyl)-N-[(2S)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(4,4,4-trifluorobutylamino)butan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4,6-dichloro-1H-indole-2-carbonyl)-N-[(2S)-4-(4-methylpentylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(7S)-6-(1-benzofuran-2-carbonyl)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-6-azaspiro[2.5]octane-7-carboxamide;(7S)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-6-(4-cyclopropyl-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide;(7S)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-6-(4-methoxy-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide.

Molecular Properties

• Compound Name: (3S,3aS,6aR)-2-(4,6-dichloro-1H-indole-2-carbonyl)-N-[(2S)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(4,4,4-trifluorobutylamino)butan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4,6-dichloro-1H-indole-2-carbonyl)-N-[(2S)-4-(4-methylpentylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(7S)-6-(1-benzofuran-2-carbonyl)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-6-azaspiro[2.5]octane-7-carboxamide;(7S)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-6-(4-cyclopropyl-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide;(7S)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-6-(4-methoxy-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide
• PubChem CID: 163551646
• Molecular Formula: C148H175Cl4F3N24O27
• Molecular Weight: 2920.97 g/mol
• Exact Mass: 2917.18
• IUPAC Name: (3S,3aS,6aR)-2-(4,6-dichloro-1H-indole-2-carbonyl)-N-[(2S)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(4,4,4-trifluorobutylamino)butan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4,6-dichloro-1H-indole-2-carbonyl)-N-[(2S)-4-(4-methylpentylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(7S)-6-(1-benzofuran-2-carbonyl)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-6-azaspiro[2.5]octane-7-carboxamide;(7S)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-6-(4-cyclopropyl-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide;(7S)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-6-(4-methoxy-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide
• SMILES: CC(C)CCCNC(=O)C(=O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1cc2c(Cl)cc(Cl)cc2[nH]1.COc1cccc2[nH]c(C(=O)N3CCC4(CC4)C[C@H]3C(=O)N[C@@H](C[C@@H]3CCNC3=O)C(=O)C(=O)NC3CC3)cc12.O=C(NC1CC1)C(=O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]1CC2(CCN1C(=O)c1cc3c(C4CC4)cccc3[nH]1)CC2.O=C(NC1CC1)C(=O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]1CC2(CCN1C(=O)c1cc3ccccc3o1)CC2.O=C(NCCCC(F)(F)F)C(=O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1cc2c(Cl)cc(Cl)cc2[nH]1
• InChI: InChI=1S/C31H39Cl2N5O5.C31H37N5O5.C29H32Cl2F3N5O5.C29H35N5O6.C28H32N4O6/c1-16(2)5-4-9-34-30(42)27(39)24(11-17-8-10-35-28(17)40)37-29(41)26-20-7-3-6-18(20)15-38(26)31(43)25-14-21-22(33)12-19(32)13-23(21)36-25;37-26(29(40)33-19-6-7-19)23(14-18-8-12-32-27(18)38)35-28(39)25-16-31(9-10-31)11-13-36(25)30(41)24-15-21-20(17-4-5-17)2-1-3-22(21)34-24;30-16-10-19(31)18-12-22(37-20(18)11-16)28(44)39-13-15-3-1-4-17(15)23(39)26(42)38-21(9-14-5-8-36-25(14)41)24(40)27(43)35-7-2-6-29(32,33)34;1-40-23-4-2-3-19-18(23)14-21(32-19)28(39)34-12-10-29(8-9-29)15-22(34)26(37)33-20(13-16-7-11-30-25(16)36)24(35)27(38)31-17-5-6-17;33-23(26(36)30-18-5-6-18)19(13-17-7-11-29-24(17)34)31-25(35)20-15-28(8-9-28)10-12-32(20)27(37)22-14-16-3-1-2-4-21(16)38-22/h12-14,16-18,20,24,26,36H,3-11,15H2,1-2H3,(H,34,42)(H,35,40)(H,37,41);1-3,15,17-19,23,25,34H,4-14,16H2,(H,32,38)(H,33,40)(H,35,39);10-12,14-15,17,21,23,37H,1-9,13H2,(H,35,43)(H,36,41)(H,38,42);2-4,14,16-17,20,22,32H,5-13,15H2,1H3,(H,30,36)(H,31,38)(H,33,37);1-4,14,17-20H,5-13,15H2,(H,29,34)(H,30,36)(H,31,35)/t17-,18-,20-,24-,26-;18-,23-,25-;14-,15-,17-,21-,23-;16-,20-,22-;17-,19-,20-/m00000/s1
• InChIKey: FJOFOBNJCWXBIG-WXLARICISA-N
• XLogP: 12.99
• TPSA: 708.93 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 27
• Rotatable Bonds: 47
• Heavy Atoms: 206
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2920.97
LogP ≤ 5	12.99
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3S,3aS,6aR)-2-(4,6-dichloro-1H-indole-2-carbonyl)-N-[(2S)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(4,4,4-trifluorobutylamino)butan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4,6-dichloro-1H-indole-2-carbonyl)-N-[(2S)-4-(4-methylpentylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(7S)-6-(1-benzofuran-2-carbonyl)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-6-azaspiro[2.5]octane-7-carboxamide;(7S)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-6-(4-cyclopropyl-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide;(7S)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-6-(4-methoxy-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide?

The IUPAC name of (3S,3aS,6aR)-2-(4,6-dichloro-1H-indole-2-carbonyl)-N-[(2S)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(4,4,4-trifluorobutylamino)butan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4,6-dichloro-1H-indole-2-carbonyl)-N-[(2S)-4-(4-methylpentylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(7S)-6-(1-benzofuran-2-carbonyl)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-6-azaspiro[2.5]octane-7-carboxamide;(7S)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-6-(4-cyclopropyl-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide;(7S)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-6-(4-methoxy-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide (CID 163551646) is (3S,3aS,6aR)-2-(4,6-dichloro-1H-indole-2-carbonyl)-N-[(2S)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(4,4,4-trifluorobutylamino)butan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4,6-dichloro-1H-indole-2-carbonyl)-N-[(2S)-4-(4-methylpentylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(7S)-6-(1-benzofuran-2-carbonyl)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-6-azaspiro[2.5]octane-7-carboxamide;(7S)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-6-(4-cyclopropyl-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide;(7S)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-6-(4-methoxy-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide.

What is the SMILES notation for (3S,3aS,6aR)-2-(4,6-dichloro-1H-indole-2-carbonyl)-N-[(2S)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(4,4,4-trifluorobutylamino)butan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4,6-dichloro-1H-indole-2-carbonyl)-N-[(2S)-4-(4-methylpentylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(7S)-6-(1-benzofuran-2-carbonyl)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-6-azaspiro[2.5]octane-7-carboxamide;(7S)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-6-(4-cyclopropyl-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide;(7S)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-6-(4-methoxy-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide?

The canonical SMILES for (3S,3aS,6aR)-2-(4,6-dichloro-1H-indole-2-carbonyl)-N-[(2S)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(4,4,4-trifluorobutylamino)butan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4,6-dichloro-1H-indole-2-carbonyl)-N-[(2S)-4-(4-methylpentylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(7S)-6-(1-benzofuran-2-carbonyl)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-6-azaspiro[2.5]octane-7-carboxamide;(7S)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-6-(4-cyclopropyl-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide;(7S)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-6-(4-methoxy-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide is CC(C)CCCNC(=O)C(=O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1cc2c(Cl)cc(Cl)cc2[nH]1.COc1cccc2[nH]c(C(=O)N3CCC4(CC4)C[C@H]3C(=O)N[C@@H](C[C@@H]3CCNC3=O)C(=O)C(=O)NC3CC3)cc12.O=C(NC1CC1)C(=O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]1CC2(CCN1C(=O)c1cc3c(C4CC4)cccc3[nH]1)CC2.O=C(NC1CC1)C(=O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]1CC2(CCN1C(=O)c1cc3ccccc3o1)CC2.O=C(NCCCC(F)(F)F)C(=O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1cc2c(Cl)cc(Cl)cc2[nH]1.

What is the InChIKey of (3S,3aS,6aR)-2-(4,6-dichloro-1H-indole-2-carbonyl)-N-[(2S)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(4,4,4-trifluorobutylamino)butan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4,6-dichloro-1H-indole-2-carbonyl)-N-[(2S)-4-(4-methylpentylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(7S)-6-(1-benzofuran-2-carbonyl)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-6-azaspiro[2.5]octane-7-carboxamide;(7S)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-6-(4-cyclopropyl-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide;(7S)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-6-(4-methoxy-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide?

The InChIKey is FJOFOBNJCWXBIG-WXLARICISA-N. The full InChI is InChI=1S/C31H39Cl2N5O5.C31H37N5O5.C29H32Cl2F3N5O5.C29H35N5O6.C28H32N4O6/c1-16(2)5-4-9-34-30(42)27(39)24(11-17-8-10-35-28(17)40)37-29(41)26-20-7-3-6-18(20)15-38(26)31(43)25-14-21-22(33)12-19(32)13-23(21)36-25;37-26(29(40)33-19-6-7-19)23(14-18-8-12-32-27(18)38)35-28(39)25-16-31(9-10-31)11-13-36(25)30(41)24-15-21-20(17-4-5-17)2-1-3-22(21)34-24;30-16-10-19(31)18-12-22(37-20(18)11-16)28(44)39-13-15-3-1-4-17(15)23(39)26(42)38-21(9-14-5-8-36-25(14)41)24(40)27(43)35-7-2-6-29(32,33)34;1-40-23-4-2-3-19-18(23)14-21(32-19)28(39)34-12-10-29(8-9-29)15-22(34)26(37)33-20(13-16-7-11-30-25(16)36)24(35)27(38)31-17-5-6-17;33-23(26(36)30-18-5-6-18)19(13-17-7-11-29-24(17)34)31-25(35)20-15-28(8-9-28)10-12-32(20)27(37)22-14-16-3-1-2-4-21(16)38-22/h12-14,16-18,20,24,26,36H,3-11,15H2,1-2H3,(H,34,42)(H,35,40)(H,37,41);1-3,15,17-19,23,25,34H,4-14,16H2,(H,32,38)(H,33,40)(H,35,39);10-12,14-15,17,21,23,37H,1-9,13H2,(H,35,43)(H,36,41)(H,38,42);2-4,14,16-17,20,22,32H,5-13,15H2,1H3,(H,30,36)(H,31,38)(H,33,37);1-4,14,17-20H,5-13,15H2,(H,29,34)(H,30,36)(H,31,35)/t17-,18-,20-,24-,26-;18-,23-,25-;14-,15-,17-,21-,23-;16-,20-,22-;17-,19-,20-/m00000/s1.

What are the key properties of (3S,3aS,6aR)-2-(4,6-dichloro-1H-indole-2-carbonyl)-N-[(2S)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(4,4,4-trifluorobutylamino)butan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4,6-dichloro-1H-indole-2-carbonyl)-N-[(2S)-4-(4-methylpentylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(7S)-6-(1-benzofuran-2-carbonyl)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-6-azaspiro[2.5]octane-7-carboxamide;(7S)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-6-(4-cyclopropyl-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide;(7S)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-6-(4-methoxy-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide?

(3S,3aS,6aR)-2-(4,6-dichloro-1H-indole-2-carbonyl)-N-[(2S)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(4,4,4-trifluorobutylamino)butan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4,6-dichloro-1H-indole-2-carbonyl)-N-[(2S)-4-(4-methylpentylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(7S)-6-(1-benzofuran-2-carbonyl)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-6-azaspiro[2.5]octane-7-carboxamide;(7S)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-6-(4-cyclopropyl-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide;(7S)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-6-(4-methoxy-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide has a molecular weight of 2920.97 g/mol, XLogP of 12.99, 47 rotatable bonds, 19 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,3aS,6aR)-2-(4,6-dichloro-1H-indole-2-carbonyl)-N-[(2S)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(4,4,4-trifluorobutylamino)butan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(3S,3aS,6aR)-2-(4,6-dichloro-1H-indole-2-carbonyl)-N-[(2S)-4-(4-methylpentylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;(7S)-6-(1-benzofuran-2-carbonyl)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-6-azaspiro[2.5]octane-7-carboxamide;(7S)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-6-(4-cyclopropyl-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide;(7S)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-6-(4-methoxy-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-7-carboxamide is sourced from PubChem (CID 163551646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).