4-[2-[4-[4-[[(6aS)-2-methyl-12-oxo-6aH-pyrido[2,1-c][1,4]benzodiazepin-3-yl]oxy]butanoylamino]-1-methylimidazol-2-yl]-2-oxoethyl]-N-[5-(5-aminoindole-1-carbonyl)-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide;4-[2-[4-[4-[[(6aS)-2-methyl-12-oxo-7,8,9,10-tetrahydro-6aH-pyrido[2,1-c][1,4]benzodiazepin-3-yl]oxy]butanoylamino]-1-methylimidazol-2-yl]-2-oxoethyl]-N-[5-(5-aminoindole-1-carbonyl)-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide;2-methoxyethoxy-[[1-[1-methyl-4-[2-[1-methyl-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]pyrrol-2-yl]-2-oxoethyl]pyrrole-2-carbonyl]indol-5-yl]methyl]phosphinic acid;1-[1-methyl-4-[2-[1-methyl-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]pyrrol-2-yl]-2-oxoethyl]pyrrole-2-carbonyl]indole-5-carboxylic acid

C183H185N36O30P — CID 167566361

About 4-[2-[4-[4-[[(6aS)-2-methyl-12-oxo-6aH-pyrido[2,1-c][1,4]benzodiazepin-3-yl]oxy]butanoylamino]-1-methylimidazol-2-yl]-2-oxoethyl]-N-[5-(5-aminoindole-1-carbonyl)-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide;4-[2-[4-[4-[[(6aS)-2-methyl-12-oxo-7,8,9,10-tetrahydro-6aH-pyrido[2,1-c][1,4]benzodiazepin-3-yl]oxy]butanoylamino]-1-methylimidazol-2-yl]-2-oxoethyl]-N-[5-(5-aminoindole-1-carbonyl)-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide;2-methoxyethoxy-[[1-[1-methyl-4-[2-[1-methyl-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]pyrrol-2-yl]-2-oxoethyl]pyrrole-2-carbonyl]indol-5-yl]methyl]phosphinic acid;1-[1-methyl-4-[2-[1-methyl-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]pyrrol-2-yl]-2-oxoethyl]pyrrole-2-carbonyl]indole-5-carboxylic acid

4-[2-[4-[4-[[(6aS)-2-methyl-12-oxo-6aH-pyrido[2,1-c][1,4]benzodiazepin-3-yl]oxy]butanoylamino]-1-methylimidazol-2-yl]-2-oxoethyl]-N-[5-(5-aminoindole-1-carbonyl)-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide;4-[2-[4-[4-[[(6aS)-2-methyl-12-oxo-7,8,9,10-tetrahydro-6aH-pyrido[2,1-c][1,4]benzodiazepin-3-yl]oxy]butanoylamino]-1-methylimidazol-2-yl]-2-oxoethyl]-N-[5-(5-aminoindole-1-carbonyl)-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide;2-methoxyethoxy-[[1-[1-methyl-4-[2-[1-methyl-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]pyrrol-2-yl]-2-oxoethyl]pyrrole-2-carbonyl]indol-5-yl]methyl]phosphinic acid;1-[1-methyl-4-[2-[1-methyl-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]pyrrol-2-yl]-2-oxoethyl]pyrrole-2-carbonyl]indole-5-carboxylic acid (PubChem CID 167566361) has the molecular formula C183H185N36O30P and a molecular weight of 3399.69 g/mol. Its IUPAC name is 4-[2-[4-[4-[[(6aS)-2-methyl-12-oxo-6aH-pyrido[2,1-c][1,4]benzodiazepin-3-yl]oxy]butanoylamino]-1-methylimidazol-2-yl]-2-oxoethyl]-N-[5-(5-aminoindole-1-carbonyl)-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide;4-[2-[4-[4-[[(6aS)-2-methyl-12-oxo-7,8,9,10-tetrahydro-6aH-pyrido[2,1-c][1,4]benzodiazepin-3-yl]oxy]butanoylamino]-1-methylimidazol-2-yl]-2-oxoethyl]-N-[5-(5-aminoindole-1-carbonyl)-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide;2-methoxyethoxy-[[1-[1-methyl-4-[2-[1-methyl-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]pyrrol-2-yl]-2-oxoethyl]pyrrole-2-carbonyl]indol-5-yl]methyl]phosphinic acid;1-[1-methyl-4-[2-[1-methyl-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]pyrrol-2-yl]-2-oxoethyl]pyrrole-2-carbonyl]indole-5-carboxylic acid.

Molecular Properties

• Compound Name: 4-[2-[4-[4-[[(6aS)-2-methyl-12-oxo-6aH-pyrido[2,1-c][1,4]benzodiazepin-3-yl]oxy]butanoylamino]-1-methylimidazol-2-yl]-2-oxoethyl]-N-[5-(5-aminoindole-1-carbonyl)-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide;4-[2-[4-[4-[[(6aS)-2-methyl-12-oxo-7,8,9,10-tetrahydro-6aH-pyrido[2,1-c][1,4]benzodiazepin-3-yl]oxy]butanoylamino]-1-methylimidazol-2-yl]-2-oxoethyl]-N-[5-(5-aminoindole-1-carbonyl)-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide;2-methoxyethoxy-[[1-[1-methyl-4-[2-[1-methyl-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]pyrrol-2-yl]-2-oxoethyl]pyrrole-2-carbonyl]indol-5-yl]methyl]phosphinic acid;1-[1-methyl-4-[2-[1-methyl-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]pyrrol-2-yl]-2-oxoethyl]pyrrole-2-carbonyl]indole-5-carboxylic acid
• PubChem CID: 167566361
• Molecular Formula: C183H185N36O30P
• Molecular Weight: 3399.69 g/mol
• Exact Mass: 3397.38
• IUPAC Name: 4-[2-[4-[4-[[(6aS)-2-methyl-12-oxo-6aH-pyrido[2,1-c][1,4]benzodiazepin-3-yl]oxy]butanoylamino]-1-methylimidazol-2-yl]-2-oxoethyl]-N-[5-(5-aminoindole-1-carbonyl)-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide;4-[2-[4-[4-[[(6aS)-2-methyl-12-oxo-7,8,9,10-tetrahydro-6aH-pyrido[2,1-c][1,4]benzodiazepin-3-yl]oxy]butanoylamino]-1-methylimidazol-2-yl]-2-oxoethyl]-N-[5-(5-aminoindole-1-carbonyl)-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide;2-methoxyethoxy-[[1-[1-methyl-4-[2-[1-methyl-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]pyrrol-2-yl]-2-oxoethyl]pyrrole-2-carbonyl]indol-5-yl]methyl]phosphinic acid;1-[1-methyl-4-[2-[1-methyl-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]pyrrol-2-yl]-2-oxoethyl]pyrrole-2-carbonyl]indole-5-carboxylic acid
• SMILES: C=C1CC2C=Nc3cc(OCCCC(=O)Nc4cn(C)c(C(=O)Cc5cc(C(=O)Cc6cc(C(=O)n7ccc8cc(C(=O)O)ccc87)n(C)c6)n(C)c5)n4)c(C)cc3C(=O)N2C1.C=C1CC2C=Nc3cc(OCCCC(=O)Nc4cn(C)c(C(=O)Cc5cc(C(=O)Cc6cc(C(=O)n7ccc8cc(CP(=O)(O)OCCOC)ccc87)n(C)c6)n(C)c5)n4)c(C)cc3C(=O)N2C1.Cc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(C(=O)Cc3cc(C(=O)Nc4cc(C(=O)n5ccc6cc(N)ccc65)n(C)c4)n(C)c3)n1)N=C[C@@H]1C=CC=CN1C2=O.Cc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(C(=O)Cc3cc(C(=O)Nc4cc(C(=O)n5ccc6cc(N)ccc65)n(C)c4)n(C)c3)n1)N=C[C@@H]1CCCCN1C2=O
• InChI: InChI=1S/C49H53N8O10P.C46H44N8O8.C44H46N10O6.C44H42N10O6/c1-30-16-36-24-50-38-23-44(31(2)17-37(38)48(61)57(36)25-30)66-13-7-8-46(60)51-45-28-55(5)47(52-45)43(59)22-33-19-40(53(3)26-33)42(58)21-34-20-41(54(4)27-34)49(62)56-12-11-35-18-32(9-10-39(35)56)29-68(63,64)67-15-14-65-6;1-26-13-32-21-47-34-20-40(27(2)14-33(34)44(58)54(32)22-26)62-12-6-7-42(57)48-41-25-52(5)43(49-41)39(56)18-28-15-36(50(3)23-28)38(55)17-29-16-37(51(4)24-29)45(59)53-11-10-30-19-31(46(60)61)8-9-35(30)53;2*1-26-16-32-33(46-22-31-8-5-6-13-53(31)43(32)58)21-38(26)60-15-7-9-40(56)48-39-25-52(4)41(49-39)37(55)18-27-17-35(50(2)23-27)42(57)47-30-20-36(51(3)24-30)44(59)54-14-12-28-19-29(45)10-11-34(28)54/h9-12,17-20,23-24,26-28,36H,1,7-8,13-16,21-22,25,29H2,2-6H3,(H,51,60)(H,63,64);8-11,14-16,19-21,23-25,32H,1,6-7,12-13,17-18,22H2,2-5H3,(H,48,57)(H,60,61);10-12,14,16-17,19-25,31H,5-9,13,15,18,45H2,1-4H3,(H,47,57)(H,48,56);5-6,8,10-14,16-17,19-25,31H,7,9,15,18,45H2,1-4H3,(H,47,57)(H,48,56)/t;;2*31-/m..00/s1
• InChIKey: FIKOALXETXDLGZ-QMWFPRGMSA-N
• XLogP: 23.95
• TPSA: 788.44 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 54
• Rotatable Bonds: 57
• Heavy Atoms: 250
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3399.69
LogP ≤ 5	23.95
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	54

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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[4-[[(6aS)-2-methyl-12-oxo-6aH-pyrido[2,1-c][1,4]benzodiazepin-3-yl]oxy]butanoylamino]-1-methylimidazol-2-yl]-2-oxoethyl]-N-[5-(5-aminoindole-1-carbonyl)-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide;4-[2-[4-[4-[[(6aS)-2-methyl-12-oxo-7,8,9,10-tetrahydro-6aH-pyrido[2,1-c][1,4]benzodiazepin-3-yl]oxy]butanoylamino]-1-methylimidazol-2-yl]-2-oxoethyl]-N-[5-(5-aminoindole-1-carbonyl)-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide;2-methoxyethoxy-[[1-[1-methyl-4-[2-[1-methyl-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]pyrrol-2-yl]-2-oxoethyl]pyrrole-2-carbonyl]indol-5-yl]methyl]phosphinic acid;1-[1-methyl-4-[2-[1-methyl-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]pyrrol-2-yl]-2-oxoethyl]pyrrole-2-carbonyl]indole-5-carboxylic acid?

The IUPAC name of 4-[2-[4-[4-[[(6aS)-2-methyl-12-oxo-6aH-pyrido[2,1-c][1,4]benzodiazepin-3-yl]oxy]butanoylamino]-1-methylimidazol-2-yl]-2-oxoethyl]-N-[5-(5-aminoindole-1-carbonyl)-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide;4-[2-[4-[4-[[(6aS)-2-methyl-12-oxo-7,8,9,10-tetrahydro-6aH-pyrido[2,1-c][1,4]benzodiazepin-3-yl]oxy]butanoylamino]-1-methylimidazol-2-yl]-2-oxoethyl]-N-[5-(5-aminoindole-1-carbonyl)-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide;2-methoxyethoxy-[[1-[1-methyl-4-[2-[1-methyl-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]pyrrol-2-yl]-2-oxoethyl]pyrrole-2-carbonyl]indol-5-yl]methyl]phosphinic acid;1-[1-methyl-4-[2-[1-methyl-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]pyrrol-2-yl]-2-oxoethyl]pyrrole-2-carbonyl]indole-5-carboxylic acid (CID 167566361) is 4-[2-[4-[4-[[(6aS)-2-methyl-12-oxo-6aH-pyrido[2,1-c][1,4]benzodiazepin-3-yl]oxy]butanoylamino]-1-methylimidazol-2-yl]-2-oxoethyl]-N-[5-(5-aminoindole-1-carbonyl)-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide;4-[2-[4-[4-[[(6aS)-2-methyl-12-oxo-7,8,9,10-tetrahydro-6aH-pyrido[2,1-c][1,4]benzodiazepin-3-yl]oxy]butanoylamino]-1-methylimidazol-2-yl]-2-oxoethyl]-N-[5-(5-aminoindole-1-carbonyl)-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide;2-methoxyethoxy-[[1-[1-methyl-4-[2-[1-methyl-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]pyrrol-2-yl]-2-oxoethyl]pyrrole-2-carbonyl]indol-5-yl]methyl]phosphinic acid;1-[1-methyl-4-[2-[1-methyl-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]pyrrol-2-yl]-2-oxoethyl]pyrrole-2-carbonyl]indole-5-carboxylic acid.

What is the SMILES notation for 4-[2-[4-[4-[[(6aS)-2-methyl-12-oxo-6aH-pyrido[2,1-c][1,4]benzodiazepin-3-yl]oxy]butanoylamino]-1-methylimidazol-2-yl]-2-oxoethyl]-N-[5-(5-aminoindole-1-carbonyl)-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide;4-[2-[4-[4-[[(6aS)-2-methyl-12-oxo-7,8,9,10-tetrahydro-6aH-pyrido[2,1-c][1,4]benzodiazepin-3-yl]oxy]butanoylamino]-1-methylimidazol-2-yl]-2-oxoethyl]-N-[5-(5-aminoindole-1-carbonyl)-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide;2-methoxyethoxy-[[1-[1-methyl-4-[2-[1-methyl-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]pyrrol-2-yl]-2-oxoethyl]pyrrole-2-carbonyl]indol-5-yl]methyl]phosphinic acid;1-[1-methyl-4-[2-[1-methyl-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]pyrrol-2-yl]-2-oxoethyl]pyrrole-2-carbonyl]indole-5-carboxylic acid?

The canonical SMILES for 4-[2-[4-[4-[[(6aS)-2-methyl-12-oxo-6aH-pyrido[2,1-c][1,4]benzodiazepin-3-yl]oxy]butanoylamino]-1-methylimidazol-2-yl]-2-oxoethyl]-N-[5-(5-aminoindole-1-carbonyl)-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide;4-[2-[4-[4-[[(6aS)-2-methyl-12-oxo-7,8,9,10-tetrahydro-6aH-pyrido[2,1-c][1,4]benzodiazepin-3-yl]oxy]butanoylamino]-1-methylimidazol-2-yl]-2-oxoethyl]-N-[5-(5-aminoindole-1-carbonyl)-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide;2-methoxyethoxy-[[1-[1-methyl-4-[2-[1-methyl-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]pyrrol-2-yl]-2-oxoethyl]pyrrole-2-carbonyl]indol-5-yl]methyl]phosphinic acid;1-[1-methyl-4-[2-[1-methyl-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]pyrrol-2-yl]-2-oxoethyl]pyrrole-2-carbonyl]indole-5-carboxylic acid is C=C1CC2C=Nc3cc(OCCCC(=O)Nc4cn(C)c(C(=O)Cc5cc(C(=O)Cc6cc(C(=O)n7ccc8cc(C(=O)O)ccc87)n(C)c6)n(C)c5)n4)c(C)cc3C(=O)N2C1.C=C1CC2C=Nc3cc(OCCCC(=O)Nc4cn(C)c(C(=O)Cc5cc(C(=O)Cc6cc(C(=O)n7ccc8cc(CP(=O)(O)OCCOC)ccc87)n(C)c6)n(C)c5)n4)c(C)cc3C(=O)N2C1.Cc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(C(=O)Cc3cc(C(=O)Nc4cc(C(=O)n5ccc6cc(N)ccc65)n(C)c4)n(C)c3)n1)N=C[C@@H]1C=CC=CN1C2=O.Cc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(C(=O)Cc3cc(C(=O)Nc4cc(C(=O)n5ccc6cc(N)ccc65)n(C)c4)n(C)c3)n1)N=C[C@@H]1CCCCN1C2=O.

What is the InChIKey of 4-[2-[4-[4-[[(6aS)-2-methyl-12-oxo-6aH-pyrido[2,1-c][1,4]benzodiazepin-3-yl]oxy]butanoylamino]-1-methylimidazol-2-yl]-2-oxoethyl]-N-[5-(5-aminoindole-1-carbonyl)-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide;4-[2-[4-[4-[[(6aS)-2-methyl-12-oxo-7,8,9,10-tetrahydro-6aH-pyrido[2,1-c][1,4]benzodiazepin-3-yl]oxy]butanoylamino]-1-methylimidazol-2-yl]-2-oxoethyl]-N-[5-(5-aminoindole-1-carbonyl)-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide;2-methoxyethoxy-[[1-[1-methyl-4-[2-[1-methyl-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]pyrrol-2-yl]-2-oxoethyl]pyrrole-2-carbonyl]indol-5-yl]methyl]phosphinic acid;1-[1-methyl-4-[2-[1-methyl-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]pyrrol-2-yl]-2-oxoethyl]pyrrole-2-carbonyl]indole-5-carboxylic acid?

The InChIKey is FIKOALXETXDLGZ-QMWFPRGMSA-N. The full InChI is InChI=1S/C49H53N8O10P.C46H44N8O8.C44H46N10O6.C44H42N10O6/c1-30-16-36-24-50-38-23-44(31(2)17-37(38)48(61)57(36)25-30)66-13-7-8-46(60)51-45-28-55(5)47(52-45)43(59)22-33-19-40(53(3)26-33)42(58)21-34-20-41(54(4)27-34)49(62)56-12-11-35-18-32(9-10-39(35)56)29-68(63,64)67-15-14-65-6;1-26-13-32-21-47-34-20-40(27(2)14-33(34)44(58)54(32)22-26)62-12-6-7-42(57)48-41-25-52(5)43(49-41)39(56)18-28-15-36(50(3)23-28)38(55)17-29-16-37(51(4)24-29)45(59)53-11-10-30-19-31(46(60)61)8-9-35(30)53;2*1-26-16-32-33(46-22-31-8-5-6-13-53(31)43(32)58)21-38(26)60-15-7-9-40(56)48-39-25-52(4)41(49-39)37(55)18-27-17-35(50(2)23-27)42(57)47-30-20-36(51(3)24-30)44(59)54-14-12-28-19-29(45)10-11-34(28)54/h9-12,17-20,23-24,26-28,36H,1,7-8,13-16,21-22,25,29H2,2-6H3,(H,51,60)(H,63,64);8-11,14-16,19-21,23-25,32H,1,6-7,12-13,17-18,22H2,2-5H3,(H,48,57)(H,60,61);10-12,14,16-17,19-25,31H,5-9,13,15,18,45H2,1-4H3,(H,47,57)(H,48,56);5-6,8,10-14,16-17,19-25,31H,7,9,15,18,45H2,1-4H3,(H,47,57)(H,48,56)/t;;2*31-/m..00/s1.

What are the key properties of 4-[2-[4-[4-[[(6aS)-2-methyl-12-oxo-6aH-pyrido[2,1-c][1,4]benzodiazepin-3-yl]oxy]butanoylamino]-1-methylimidazol-2-yl]-2-oxoethyl]-N-[5-(5-aminoindole-1-carbonyl)-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide;4-[2-[4-[4-[[(6aS)-2-methyl-12-oxo-7,8,9,10-tetrahydro-6aH-pyrido[2,1-c][1,4]benzodiazepin-3-yl]oxy]butanoylamino]-1-methylimidazol-2-yl]-2-oxoethyl]-N-[5-(5-aminoindole-1-carbonyl)-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide;2-methoxyethoxy-[[1-[1-methyl-4-[2-[1-methyl-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]pyrrol-2-yl]-2-oxoethyl]pyrrole-2-carbonyl]indol-5-yl]methyl]phosphinic acid;1-[1-methyl-4-[2-[1-methyl-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]pyrrol-2-yl]-2-oxoethyl]pyrrole-2-carbonyl]indole-5-carboxylic acid?

4-[2-[4-[4-[[(6aS)-2-methyl-12-oxo-6aH-pyrido[2,1-c][1,4]benzodiazepin-3-yl]oxy]butanoylamino]-1-methylimidazol-2-yl]-2-oxoethyl]-N-[5-(5-aminoindole-1-carbonyl)-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide;4-[2-[4-[4-[[(6aS)-2-methyl-12-oxo-7,8,9,10-tetrahydro-6aH-pyrido[2,1-c][1,4]benzodiazepin-3-yl]oxy]butanoylamino]-1-methylimidazol-2-yl]-2-oxoethyl]-N-[5-(5-aminoindole-1-carbonyl)-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide;2-methoxyethoxy-[[1-[1-methyl-4-[2-[1-methyl-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]pyrrol-2-yl]-2-oxoethyl]pyrrole-2-carbonyl]indol-5-yl]methyl]phosphinic acid;1-[1-methyl-4-[2-[1-methyl-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]pyrrol-2-yl]-2-oxoethyl]pyrrole-2-carbonyl]indole-5-carboxylic acid has a molecular weight of 3399.69 g/mol, XLogP of 23.95, 57 rotatable bonds, 10 hydrogen bond donors, and 54 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[4-[4-[[(6aS)-2-methyl-12-oxo-6aH-pyrido[2,1-c][1,4]benzodiazepin-3-yl]oxy]butanoylamino]-1-methylimidazol-2-yl]-2-oxoethyl]-N-[5-(5-aminoindole-1-carbonyl)-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide;4-[2-[4-[4-[[(6aS)-2-methyl-12-oxo-7,8,9,10-tetrahydro-6aH-pyrido[2,1-c][1,4]benzodiazepin-3-yl]oxy]butanoylamino]-1-methylimidazol-2-yl]-2-oxoethyl]-N-[5-(5-aminoindole-1-carbonyl)-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide;2-methoxyethoxy-[[1-[1-methyl-4-[2-[1-methyl-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]pyrrol-2-yl]-2-oxoethyl]pyrrole-2-carbonyl]indol-5-yl]methyl]phosphinic acid;1-[1-methyl-4-[2-[1-methyl-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]pyrrol-2-yl]-2-oxoethyl]pyrrole-2-carbonyl]indole-5-carboxylic acid is sourced from PubChem (CID 167566361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).