N-[(1S)-2-[[(2S)-1-[(2S,3aS,7aS)-2-[[(3S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]-5-acetyl-1H-indole-2-carboxamide;N-[(1S)-2-[[(2S)-1-[(2S,3aS,7aS)-2-[[(3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]-5-acetyl-1H-indole-2-carboxamide;5-acetyl-1H-indole-2-carboxylic acid;benzyl N-[(1S)-2-[[(2S)-1-[(2S,3aS,7aS)-2-[[(3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]carbamate;ethanol

C139H198N18O25 — CID 160629271

About N-[(1S)-2-[[(2S)-1-[(2S,3aS,7aS)-2-[[(3S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]-5-acetyl-1H-indole-2-carboxamide;N-[(1S)-2-[[(2S)-1-[(2S,3aS,7aS)-2-[[(3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]-5-acetyl-1H-indole-2-carboxamide;5-acetyl-1H-indole-2-carboxylic acid;benzyl N-[(1S)-2-[[(2S)-1-[(2S,3aS,7aS)-2-[[(3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]carbamate;ethanol

N-[(1S)-2-[[(2S)-1-[(2S,3aS,7aS)-2-[[(3S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]-5-acetyl-1H-indole-2-carboxamide;N-[(1S)-2-[[(2S)-1-[(2S,3aS,7aS)-2-[[(3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]-5-acetyl-1H-indole-2-carboxamide;5-acetyl-1H-indole-2-carboxylic acid;benzyl N-[(1S)-2-[[(2S)-1-[(2S,3aS,7aS)-2-[[(3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]carbamate;ethanol (PubChem CID 160629271) has the molecular formula C139H198N18O25 and a molecular weight of 2521.21 g/mol. Its IUPAC name is N-[(1S)-2-[[(2S)-1-[(2S,3aS,7aS)-2-[[(3S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]-5-acetyl-1H-indole-2-carboxamide;N-[(1S)-2-[[(2S)-1-[(2S,3aS,7aS)-2-[[(3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]-5-acetyl-1H-indole-2-carboxamide;5-acetyl-1H-indole-2-carboxylic acid;benzyl N-[(1S)-2-[[(2S)-1-[(2S,3aS,7aS)-2-[[(3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]carbamate;ethanol.

Molecular Properties

• Compound Name: N-[(1S)-2-[[(2S)-1-[(2S,3aS,7aS)-2-[[(3S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]-5-acetyl-1H-indole-2-carboxamide;N-[(1S)-2-[[(2S)-1-[(2S,3aS,7aS)-2-[[(3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]-5-acetyl-1H-indole-2-carboxamide;5-acetyl-1H-indole-2-carboxylic acid;benzyl N-[(1S)-2-[[(2S)-1-[(2S,3aS,7aS)-2-[[(3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]carbamate;ethanol
• PubChem CID: 160629271
• Molecular Formula: C139H198N18O25
• Molecular Weight: 2521.21 g/mol
• Exact Mass: 2519.48
• IUPAC Name: N-[(1S)-2-[[(2S)-1-[(2S,3aS,7aS)-2-[[(3S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]-5-acetyl-1H-indole-2-carboxamide;N-[(1S)-2-[[(2S)-1-[(2S,3aS,7aS)-2-[[(3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]-5-acetyl-1H-indole-2-carboxamide;5-acetyl-1H-indole-2-carboxylic acid;benzyl N-[(1S)-2-[[(2S)-1-[(2S,3aS,7aS)-2-[[(3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]carbamate;ethanol
• SMILES: CC(=O)c1ccc2[nH]c(C(=O)O)cc2c1.CCC[C@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C1CCCCC1)C(C)(C)C)C(O)C(=O)NC1CC1.CCC[C@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cc2cc(C(C)=O)ccc2[nH]1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)NC1CC1.CCC[C@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cc2cc(C(C)=O)ccc2[nH]1)C1CCCCC1)C(C)(C)C)C(O)C(=O)NC1CC1.CCO
• InChI: InChI=1S/C43H62N6O7.C43H60N6O7.C40H61N5O7.C11H9NO3.C2H6O/c2*1-6-12-31(36(51)41(55)44-29-18-19-29)46-39(53)34-23-27-15-10-11-16-33(27)49(34)42(56)37(43(3,4)5)48-40(54)35(25-13-8-7-9-14-25)47-38(52)32-22-28-21-26(24(2)50)17-20-30(28)45-32;1-5-14-29(33(46)37(49)41-28-21-22-28)42-35(47)31-23-27-19-12-13-20-30(27)45(31)38(50)34(40(2,3)4)44-36(48)32(26-17-10-7-11-18-26)43-39(51)52-24-25-15-8-6-9-16-25;1-6(13)7-2-3-9-8(4-7)5-10(12-9)11(14)15;1-2-3/h17,20-22,25,27,29,31,33-37,45,51H,6-16,18-19,23H2,1-5H3,(H,44,55)(H,46,53)(H,47,52)(H,48,54);17,20-22,25,27,29,31,33-35,37,45H,6-16,18-19,23H2,1-5H3,(H,44,55)(H,46,53)(H,47,52)(H,48,54);6,8-9,15-16,26-34,46H,5,7,10-14,17-24H2,1-4H3,(H,41,49)(H,42,47)(H,43,51)(H,44,48);2-5,12H,1H3,(H,14,15);3H,2H2,1H3/t27-,31-,33-,34-,35-,36?,37+;27-,31-,33-,34-,35-,37+;27-,29-,30-,31-,32-,33?,34+;;/m000../s1
• InChIKey: RHSCRYPVBXFSED-DSPIHJAUSA-N
• XLogP: 16.08
• TPSA: 633.00 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 24
• Rotatable Bonds: 44
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2521.21
LogP ≤ 5	16.08
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-[[(2S)-1-[(2S,3aS,7aS)-2-[[(3S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]-5-acetyl-1H-indole-2-carboxamide;N-[(1S)-2-[[(2S)-1-[(2S,3aS,7aS)-2-[[(3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]-5-acetyl-1H-indole-2-carboxamide;5-acetyl-1H-indole-2-carboxylic acid;benzyl N-[(1S)-2-[[(2S)-1-[(2S,3aS,7aS)-2-[[(3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]carbamate;ethanol?

The IUPAC name of N-[(1S)-2-[[(2S)-1-[(2S,3aS,7aS)-2-[[(3S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]-5-acetyl-1H-indole-2-carboxamide;N-[(1S)-2-[[(2S)-1-[(2S,3aS,7aS)-2-[[(3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]-5-acetyl-1H-indole-2-carboxamide;5-acetyl-1H-indole-2-carboxylic acid;benzyl N-[(1S)-2-[[(2S)-1-[(2S,3aS,7aS)-2-[[(3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]carbamate;ethanol (CID 160629271) is N-[(1S)-2-[[(2S)-1-[(2S,3aS,7aS)-2-[[(3S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]-5-acetyl-1H-indole-2-carboxamide;N-[(1S)-2-[[(2S)-1-[(2S,3aS,7aS)-2-[[(3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]-5-acetyl-1H-indole-2-carboxamide;5-acetyl-1H-indole-2-carboxylic acid;benzyl N-[(1S)-2-[[(2S)-1-[(2S,3aS,7aS)-2-[[(3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]carbamate;ethanol.

What is the SMILES notation for N-[(1S)-2-[[(2S)-1-[(2S,3aS,7aS)-2-[[(3S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]-5-acetyl-1H-indole-2-carboxamide;N-[(1S)-2-[[(2S)-1-[(2S,3aS,7aS)-2-[[(3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]-5-acetyl-1H-indole-2-carboxamide;5-acetyl-1H-indole-2-carboxylic acid;benzyl N-[(1S)-2-[[(2S)-1-[(2S,3aS,7aS)-2-[[(3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]carbamate;ethanol?

The canonical SMILES for N-[(1S)-2-[[(2S)-1-[(2S,3aS,7aS)-2-[[(3S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]-5-acetyl-1H-indole-2-carboxamide;N-[(1S)-2-[[(2S)-1-[(2S,3aS,7aS)-2-[[(3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]-5-acetyl-1H-indole-2-carboxamide;5-acetyl-1H-indole-2-carboxylic acid;benzyl N-[(1S)-2-[[(2S)-1-[(2S,3aS,7aS)-2-[[(3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]carbamate;ethanol is CC(=O)c1ccc2[nH]c(C(=O)O)cc2c1.CCC[C@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C1CCCCC1)C(C)(C)C)C(O)C(=O)NC1CC1.CCC[C@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cc2cc(C(C)=O)ccc2[nH]1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)NC1CC1.CCC[C@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cc2cc(C(C)=O)ccc2[nH]1)C1CCCCC1)C(C)(C)C)C(O)C(=O)NC1CC1.CCO.

What is the InChIKey of N-[(1S)-2-[[(2S)-1-[(2S,3aS,7aS)-2-[[(3S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]-5-acetyl-1H-indole-2-carboxamide;N-[(1S)-2-[[(2S)-1-[(2S,3aS,7aS)-2-[[(3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]-5-acetyl-1H-indole-2-carboxamide;5-acetyl-1H-indole-2-carboxylic acid;benzyl N-[(1S)-2-[[(2S)-1-[(2S,3aS,7aS)-2-[[(3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]carbamate;ethanol?

The InChIKey is RHSCRYPVBXFSED-DSPIHJAUSA-N. The full InChI is InChI=1S/C43H62N6O7.C43H60N6O7.C40H61N5O7.C11H9NO3.C2H6O/c2*1-6-12-31(36(51)41(55)44-29-18-19-29)46-39(53)34-23-27-15-10-11-16-33(27)49(34)42(56)37(43(3,4)5)48-40(54)35(25-13-8-7-9-14-25)47-38(52)32-22-28-21-26(24(2)50)17-20-30(28)45-32;1-5-14-29(33(46)37(49)41-28-21-22-28)42-35(47)31-23-27-19-12-13-20-30(27)45(31)38(50)34(40(2,3)4)44-36(48)32(26-17-10-7-11-18-26)43-39(51)52-24-25-15-8-6-9-16-25;1-6(13)7-2-3-9-8(4-7)5-10(12-9)11(14)15;1-2-3/h17,20-22,25,27,29,31,33-37,45,51H,6-16,18-19,23H2,1-5H3,(H,44,55)(H,46,53)(H,47,52)(H,48,54);17,20-22,25,27,29,31,33-35,37,45H,6-16,18-19,23H2,1-5H3,(H,44,55)(H,46,53)(H,47,52)(H,48,54);6,8-9,15-16,26-34,46H,5,7,10-14,17-24H2,1-4H3,(H,41,49)(H,42,47)(H,43,51)(H,44,48);2-5,12H,1H3,(H,14,15);3H,2H2,1H3/t27-,31-,33-,34-,35-,36?,37+;27-,31-,33-,34-,35-,37+;27-,29-,30-,31-,32-,33?,34+;;/m000../s1.

What are the key properties of N-[(1S)-2-[[(2S)-1-[(2S,3aS,7aS)-2-[[(3S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]-5-acetyl-1H-indole-2-carboxamide;N-[(1S)-2-[[(2S)-1-[(2S,3aS,7aS)-2-[[(3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]-5-acetyl-1H-indole-2-carboxamide;5-acetyl-1H-indole-2-carboxylic acid;benzyl N-[(1S)-2-[[(2S)-1-[(2S,3aS,7aS)-2-[[(3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]carbamate;ethanol?

N-[(1S)-2-[[(2S)-1-[(2S,3aS,7aS)-2-[[(3S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]-5-acetyl-1H-indole-2-carboxamide;N-[(1S)-2-[[(2S)-1-[(2S,3aS,7aS)-2-[[(3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]-5-acetyl-1H-indole-2-carboxamide;5-acetyl-1H-indole-2-carboxylic acid;benzyl N-[(1S)-2-[[(2S)-1-[(2S,3aS,7aS)-2-[[(3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]carbamate;ethanol has a molecular weight of 2521.21 g/mol, XLogP of 16.08, 44 rotatable bonds, 19 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-2-[[(2S)-1-[(2S,3aS,7aS)-2-[[(3S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]-5-acetyl-1H-indole-2-carboxamide;N-[(1S)-2-[[(2S)-1-[(2S,3aS,7aS)-2-[[(3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]-5-acetyl-1H-indole-2-carboxamide;5-acetyl-1H-indole-2-carboxylic acid;benzyl N-[(1S)-2-[[(2S)-1-[(2S,3aS,7aS)-2-[[(3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]carbamate;ethanol is sourced from PubChem (CID 160629271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).