N-[2-[2-[4-[5-(5-acetylindole-1-carbonyl)-1-methylpyrrol-3-yl]phenyl]acetyl]-1-methylimidazol-4-yl]-4-[(2-methyl-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]butanamide;N-[2-[2-[4-[5-(5-aminoindole-1-carbonyl)-1-methylpyrrol-3-yl]phenyl]acetyl]-1-methylimidazol-4-yl]-4-[(2-methyl-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]butanamide;4-[(2-methyl-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]-N-[1-methyl-2-[2-[4-[1-methyl-5-(5-methylindole-1-carbonyl)pyrrol-3-yl]phenyl]acetyl]imidazol-4-yl]butanamide;1-[1-methyl-4-[4-[2-[1-methyl-4-[4-[(2-methyl-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]butanoylamino]imidazol-2-yl]-2-oxoethyl]phenyl]pyrrole-2-carbonyl]indole-5-carboxylic acid

C180H169N29O23 — CID 160727956

About N-[2-[2-[4-[5-(5-acetylindole-1-carbonyl)-1-methylpyrrol-3-yl]phenyl]acetyl]-1-methylimidazol-4-yl]-4-[(2-methyl-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]butanamide;N-[2-[2-[4-[5-(5-aminoindole-1-carbonyl)-1-methylpyrrol-3-yl]phenyl]acetyl]-1-methylimidazol-4-yl]-4-[(2-methyl-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]butanamide;4-[(2-methyl-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]-N-[1-methyl-2-[2-[4-[1-methyl-5-(5-methylindole-1-carbonyl)pyrrol-3-yl]phenyl]acetyl]imidazol-4-yl]butanamide;1-[1-methyl-4-[4-[2-[1-methyl-4-[4-[(2-methyl-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]butanoylamino]imidazol-2-yl]-2-oxoethyl]phenyl]pyrrole-2-carbonyl]indole-5-carboxylic acid

N-[2-[2-[4-[5-(5-acetylindole-1-carbonyl)-1-methylpyrrol-3-yl]phenyl]acetyl]-1-methylimidazol-4-yl]-4-[(2-methyl-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]butanamide;N-[2-[2-[4-[5-(5-aminoindole-1-carbonyl)-1-methylpyrrol-3-yl]phenyl]acetyl]-1-methylimidazol-4-yl]-4-[(2-methyl-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]butanamide;4-[(2-methyl-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]-N-[1-methyl-2-[2-[4-[1-methyl-5-(5-methylindole-1-carbonyl)pyrrol-3-yl]phenyl]acetyl]imidazol-4-yl]butanamide;1-[1-methyl-4-[4-[2-[1-methyl-4-[4-[(2-methyl-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]butanoylamino]imidazol-2-yl]-2-oxoethyl]phenyl]pyrrole-2-carbonyl]indole-5-carboxylic acid (PubChem CID 160727956) has the molecular formula C180H169N29O23 and a molecular weight of 3106.51 g/mol. Its IUPAC name is N-[2-[2-[4-[5-(5-acetylindole-1-carbonyl)-1-methylpyrrol-3-yl]phenyl]acetyl]-1-methylimidazol-4-yl]-4-[(2-methyl-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]butanamide;N-[2-[2-[4-[5-(5-aminoindole-1-carbonyl)-1-methylpyrrol-3-yl]phenyl]acetyl]-1-methylimidazol-4-yl]-4-[(2-methyl-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]butanamide;4-[(2-methyl-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]-N-[1-methyl-2-[2-[4-[1-methyl-5-(5-methylindole-1-carbonyl)pyrrol-3-yl]phenyl]acetyl]imidazol-4-yl]butanamide;1-[1-methyl-4-[4-[2-[1-methyl-4-[4-[(2-methyl-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]butanoylamino]imidazol-2-yl]-2-oxoethyl]phenyl]pyrrole-2-carbonyl]indole-5-carboxylic acid.

Molecular Properties

• Compound Name: N-[2-[2-[4-[5-(5-acetylindole-1-carbonyl)-1-methylpyrrol-3-yl]phenyl]acetyl]-1-methylimidazol-4-yl]-4-[(2-methyl-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]butanamide;N-[2-[2-[4-[5-(5-aminoindole-1-carbonyl)-1-methylpyrrol-3-yl]phenyl]acetyl]-1-methylimidazol-4-yl]-4-[(2-methyl-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]butanamide;4-[(2-methyl-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]-N-[1-methyl-2-[2-[4-[1-methyl-5-(5-methylindole-1-carbonyl)pyrrol-3-yl]phenyl]acetyl]imidazol-4-yl]butanamide;1-[1-methyl-4-[4-[2-[1-methyl-4-[4-[(2-methyl-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]butanoylamino]imidazol-2-yl]-2-oxoethyl]phenyl]pyrrole-2-carbonyl]indole-5-carboxylic acid
• PubChem CID: 160727956
• Molecular Formula: C180H169N29O23
• Molecular Weight: 3106.51 g/mol
• Exact Mass: 3104.29
• IUPAC Name: N-[2-[2-[4-[5-(5-acetylindole-1-carbonyl)-1-methylpyrrol-3-yl]phenyl]acetyl]-1-methylimidazol-4-yl]-4-[(2-methyl-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]butanamide;N-[2-[2-[4-[5-(5-aminoindole-1-carbonyl)-1-methylpyrrol-3-yl]phenyl]acetyl]-1-methylimidazol-4-yl]-4-[(2-methyl-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]butanamide;4-[(2-methyl-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]-N-[1-methyl-2-[2-[4-[1-methyl-5-(5-methylindole-1-carbonyl)pyrrol-3-yl]phenyl]acetyl]imidazol-4-yl]butanamide;1-[1-methyl-4-[4-[2-[1-methyl-4-[4-[(2-methyl-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]butanoylamino]imidazol-2-yl]-2-oxoethyl]phenyl]pyrrole-2-carbonyl]indole-5-carboxylic acid
• SMILES: C=C1CC2C=Nc3cc(OCCCC(=O)Nc4cn(C)c(C(=O)Cc5ccc(-c6cc(C(=O)n7ccc8cc(C(=O)O)ccc87)n(C)c6)cc5)n4)c(C)cc3C(=O)N2C1.C=C1CC2C=Nc3cc(OCCCC(=O)Nc4cn(C)c(C(=O)Cc5ccc(-c6cc(C(=O)n7ccc8cc(C(C)=O)ccc87)n(C)c6)cc5)n4)c(C)cc3C(=O)N2C1.C=C1CC2C=Nc3cc(OCCCC(=O)Nc4cn(C)c(C(=O)Cc5ccc(-c6cc(C(=O)n7ccc8cc(C)ccc87)n(C)c6)cc5)n4)c(C)cc3C(=O)N2C1.C=C1CC2C=Nc3cc(OCCCC(=O)Nc4cn(C)c(C(=O)Cc5ccc(-c6cc(C(=O)n7ccc8cc(N)ccc87)n(C)c6)cc5)n4)c(C)cc3C(=O)N2C1
• InChI: InChI=1S/C46H43N7O6.C45H41N7O7.C45H43N7O5.C44H42N8O5/c1-27-17-35-23-47-37-22-41(28(2)18-36(37)45(57)53(35)24-27)59-16-6-7-43(56)48-42-26-51(5)44(49-42)40(55)19-30-8-10-31(11-9-30)34-21-39(50(4)25-34)46(58)52-15-14-33-20-32(29(3)54)12-13-38(33)52;1-26-16-33-22-46-35-21-39(27(2)17-34(35)43(55)52(33)23-26)59-15-5-6-41(54)47-40-25-50(4)42(48-40)38(53)18-28-7-9-29(10-8-28)32-20-37(49(3)24-32)44(56)51-14-13-30-19-31(45(57)58)11-12-36(30)51;1-27-8-13-37-32(17-27)14-15-51(37)45(56)38-21-33(25-49(38)4)31-11-9-30(10-12-31)20-39(53)43-48-41(26-50(43)5)47-42(54)7-6-16-57-40-22-36-35(19-29(40)3)44(55)52-24-28(2)18-34(52)23-46-36;1-26-16-33-22-46-35-21-39(27(2)17-34(35)43(55)52(33)23-26)57-15-5-6-41(54)47-40-25-50(4)42(48-40)38(53)18-28-7-9-29(10-8-28)31-20-37(49(3)24-31)44(56)51-14-13-30-19-32(45)11-12-36(30)51/h8-15,18,20-23,25-26,35H,1,6-7,16-17,19,24H2,2-5H3,(H,48,56);7-14,17,19-22,24-25,33H,1,5-6,15-16,18,23H2,2-4H3,(H,47,54)(H,57,58);8-15,17,19,21-23,25-26,34H,2,6-7,16,18,20,24H2,1,3-5H3,(H,47,54);7-14,17,19-22,24-25,33H,1,5-6,15-16,18,23,45H2,2-4H3,(H,47,54)
• InChIKey: RTYMWZUBQHTSAF-UHFFFAOYSA-N
• XLogP: 28.14
• TPSA: 611.67 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 43
• Rotatable Bonds: 46
• Heavy Atoms: 232
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3106.51
LogP ≤ 5	28.14
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[4-[5-(5-acetylindole-1-carbonyl)-1-methylpyrrol-3-yl]phenyl]acetyl]-1-methylimidazol-4-yl]-4-[(2-methyl-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]butanamide;N-[2-[2-[4-[5-(5-aminoindole-1-carbonyl)-1-methylpyrrol-3-yl]phenyl]acetyl]-1-methylimidazol-4-yl]-4-[(2-methyl-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]butanamide;4-[(2-methyl-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]-N-[1-methyl-2-[2-[4-[1-methyl-5-(5-methylindole-1-carbonyl)pyrrol-3-yl]phenyl]acetyl]imidazol-4-yl]butanamide;1-[1-methyl-4-[4-[2-[1-methyl-4-[4-[(2-methyl-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]butanoylamino]imidazol-2-yl]-2-oxoethyl]phenyl]pyrrole-2-carbonyl]indole-5-carboxylic acid?

The IUPAC name of N-[2-[2-[4-[5-(5-acetylindole-1-carbonyl)-1-methylpyrrol-3-yl]phenyl]acetyl]-1-methylimidazol-4-yl]-4-[(2-methyl-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]butanamide;N-[2-[2-[4-[5-(5-aminoindole-1-carbonyl)-1-methylpyrrol-3-yl]phenyl]acetyl]-1-methylimidazol-4-yl]-4-[(2-methyl-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]butanamide;4-[(2-methyl-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]-N-[1-methyl-2-[2-[4-[1-methyl-5-(5-methylindole-1-carbonyl)pyrrol-3-yl]phenyl]acetyl]imidazol-4-yl]butanamide;1-[1-methyl-4-[4-[2-[1-methyl-4-[4-[(2-methyl-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]butanoylamino]imidazol-2-yl]-2-oxoethyl]phenyl]pyrrole-2-carbonyl]indole-5-carboxylic acid (CID 160727956) is N-[2-[2-[4-[5-(5-acetylindole-1-carbonyl)-1-methylpyrrol-3-yl]phenyl]acetyl]-1-methylimidazol-4-yl]-4-[(2-methyl-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]butanamide;N-[2-[2-[4-[5-(5-aminoindole-1-carbonyl)-1-methylpyrrol-3-yl]phenyl]acetyl]-1-methylimidazol-4-yl]-4-[(2-methyl-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]butanamide;4-[(2-methyl-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]-N-[1-methyl-2-[2-[4-[1-methyl-5-(5-methylindole-1-carbonyl)pyrrol-3-yl]phenyl]acetyl]imidazol-4-yl]butanamide;1-[1-methyl-4-[4-[2-[1-methyl-4-[4-[(2-methyl-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]butanoylamino]imidazol-2-yl]-2-oxoethyl]phenyl]pyrrole-2-carbonyl]indole-5-carboxylic acid.

What is the SMILES notation for N-[2-[2-[4-[5-(5-acetylindole-1-carbonyl)-1-methylpyrrol-3-yl]phenyl]acetyl]-1-methylimidazol-4-yl]-4-[(2-methyl-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]butanamide;N-[2-[2-[4-[5-(5-aminoindole-1-carbonyl)-1-methylpyrrol-3-yl]phenyl]acetyl]-1-methylimidazol-4-yl]-4-[(2-methyl-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]butanamide;4-[(2-methyl-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]-N-[1-methyl-2-[2-[4-[1-methyl-5-(5-methylindole-1-carbonyl)pyrrol-3-yl]phenyl]acetyl]imidazol-4-yl]butanamide;1-[1-methyl-4-[4-[2-[1-methyl-4-[4-[(2-methyl-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]butanoylamino]imidazol-2-yl]-2-oxoethyl]phenyl]pyrrole-2-carbonyl]indole-5-carboxylic acid?

The canonical SMILES for N-[2-[2-[4-[5-(5-acetylindole-1-carbonyl)-1-methylpyrrol-3-yl]phenyl]acetyl]-1-methylimidazol-4-yl]-4-[(2-methyl-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]butanamide;N-[2-[2-[4-[5-(5-aminoindole-1-carbonyl)-1-methylpyrrol-3-yl]phenyl]acetyl]-1-methylimidazol-4-yl]-4-[(2-methyl-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]butanamide;4-[(2-methyl-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]-N-[1-methyl-2-[2-[4-[1-methyl-5-(5-methylindole-1-carbonyl)pyrrol-3-yl]phenyl]acetyl]imidazol-4-yl]butanamide;1-[1-methyl-4-[4-[2-[1-methyl-4-[4-[(2-methyl-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]butanoylamino]imidazol-2-yl]-2-oxoethyl]phenyl]pyrrole-2-carbonyl]indole-5-carboxylic acid is C=C1CC2C=Nc3cc(OCCCC(=O)Nc4cn(C)c(C(=O)Cc5ccc(-c6cc(C(=O)n7ccc8cc(C(=O)O)ccc87)n(C)c6)cc5)n4)c(C)cc3C(=O)N2C1.C=C1CC2C=Nc3cc(OCCCC(=O)Nc4cn(C)c(C(=O)Cc5ccc(-c6cc(C(=O)n7ccc8cc(C(C)=O)ccc87)n(C)c6)cc5)n4)c(C)cc3C(=O)N2C1.C=C1CC2C=Nc3cc(OCCCC(=O)Nc4cn(C)c(C(=O)Cc5ccc(-c6cc(C(=O)n7ccc8cc(C)ccc87)n(C)c6)cc5)n4)c(C)cc3C(=O)N2C1.C=C1CC2C=Nc3cc(OCCCC(=O)Nc4cn(C)c(C(=O)Cc5ccc(-c6cc(C(=O)n7ccc8cc(N)ccc87)n(C)c6)cc5)n4)c(C)cc3C(=O)N2C1.

What is the InChIKey of N-[2-[2-[4-[5-(5-acetylindole-1-carbonyl)-1-methylpyrrol-3-yl]phenyl]acetyl]-1-methylimidazol-4-yl]-4-[(2-methyl-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]butanamide;N-[2-[2-[4-[5-(5-aminoindole-1-carbonyl)-1-methylpyrrol-3-yl]phenyl]acetyl]-1-methylimidazol-4-yl]-4-[(2-methyl-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]butanamide;4-[(2-methyl-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]-N-[1-methyl-2-[2-[4-[1-methyl-5-(5-methylindole-1-carbonyl)pyrrol-3-yl]phenyl]acetyl]imidazol-4-yl]butanamide;1-[1-methyl-4-[4-[2-[1-methyl-4-[4-[(2-methyl-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]butanoylamino]imidazol-2-yl]-2-oxoethyl]phenyl]pyrrole-2-carbonyl]indole-5-carboxylic acid?

The InChIKey is RTYMWZUBQHTSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H43N7O6.C45H41N7O7.C45H43N7O5.C44H42N8O5/c1-27-17-35-23-47-37-22-41(28(2)18-36(37)45(57)53(35)24-27)59-16-6-7-43(56)48-42-26-51(5)44(49-42)40(55)19-30-8-10-31(11-9-30)34-21-39(50(4)25-34)46(58)52-15-14-33-20-32(29(3)54)12-13-38(33)52;1-26-16-33-22-46-35-21-39(27(2)17-34(35)43(55)52(33)23-26)59-15-5-6-41(54)47-40-25-50(4)42(48-40)38(53)18-28-7-9-29(10-8-28)32-20-37(49(3)24-32)44(56)51-14-13-30-19-31(45(57)58)11-12-36(30)51;1-27-8-13-37-32(17-27)14-15-51(37)45(56)38-21-33(25-49(38)4)31-11-9-30(10-12-31)20-39(53)43-48-41(26-50(43)5)47-42(54)7-6-16-57-40-22-36-35(19-29(40)3)44(55)52-24-28(2)18-34(52)23-46-36;1-26-16-33-22-46-35-21-39(27(2)17-34(35)43(55)52(33)23-26)57-15-5-6-41(54)47-40-25-50(4)42(48-40)38(53)18-28-7-9-29(10-8-28)31-20-37(49(3)24-31)44(56)51-14-13-30-19-32(45)11-12-36(30)51/h8-15,18,20-23,25-26,35H,1,6-7,16-17,19,24H2,2-5H3,(H,48,56);7-14,17,19-22,24-25,33H,1,5-6,15-16,18,23H2,2-4H3,(H,47,54)(H,57,58);8-15,17,19,21-23,25-26,34H,2,6-7,16,18,20,24H2,1,3-5H3,(H,47,54);7-14,17,19-22,24-25,33H,1,5-6,15-16,18,23,45H2,2-4H3,(H,47,54).

What are the key properties of N-[2-[2-[4-[5-(5-acetylindole-1-carbonyl)-1-methylpyrrol-3-yl]phenyl]acetyl]-1-methylimidazol-4-yl]-4-[(2-methyl-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]butanamide;N-[2-[2-[4-[5-(5-aminoindole-1-carbonyl)-1-methylpyrrol-3-yl]phenyl]acetyl]-1-methylimidazol-4-yl]-4-[(2-methyl-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]butanamide;4-[(2-methyl-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]-N-[1-methyl-2-[2-[4-[1-methyl-5-(5-methylindole-1-carbonyl)pyrrol-3-yl]phenyl]acetyl]imidazol-4-yl]butanamide;1-[1-methyl-4-[4-[2-[1-methyl-4-[4-[(2-methyl-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]butanoylamino]imidazol-2-yl]-2-oxoethyl]phenyl]pyrrole-2-carbonyl]indole-5-carboxylic acid?

N-[2-[2-[4-[5-(5-acetylindole-1-carbonyl)-1-methylpyrrol-3-yl]phenyl]acetyl]-1-methylimidazol-4-yl]-4-[(2-methyl-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]butanamide;N-[2-[2-[4-[5-(5-aminoindole-1-carbonyl)-1-methylpyrrol-3-yl]phenyl]acetyl]-1-methylimidazol-4-yl]-4-[(2-methyl-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]butanamide;4-[(2-methyl-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]-N-[1-methyl-2-[2-[4-[1-methyl-5-(5-methylindole-1-carbonyl)pyrrol-3-yl]phenyl]acetyl]imidazol-4-yl]butanamide;1-[1-methyl-4-[4-[2-[1-methyl-4-[4-[(2-methyl-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]butanoylamino]imidazol-2-yl]-2-oxoethyl]phenyl]pyrrole-2-carbonyl]indole-5-carboxylic acid has a molecular weight of 3106.51 g/mol, XLogP of 28.14, 46 rotatable bonds, 6 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[4-[5-(5-acetylindole-1-carbonyl)-1-methylpyrrol-3-yl]phenyl]acetyl]-1-methylimidazol-4-yl]-4-[(2-methyl-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]butanamide;N-[2-[2-[4-[5-(5-aminoindole-1-carbonyl)-1-methylpyrrol-3-yl]phenyl]acetyl]-1-methylimidazol-4-yl]-4-[(2-methyl-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]butanamide;4-[(2-methyl-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]-N-[1-methyl-2-[2-[4-[1-methyl-5-(5-methylindole-1-carbonyl)pyrrol-3-yl]phenyl]acetyl]imidazol-4-yl]butanamide;1-[1-methyl-4-[4-[2-[1-methyl-4-[4-[(2-methyl-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]butanoylamino]imidazol-2-yl]-2-oxoethyl]phenyl]pyrrole-2-carbonyl]indole-5-carboxylic acid is sourced from PubChem (CID 160727956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).