N-[2-[bis(azanyl)methylideneamino]ethyl]-4-[[4-[[4-[(2-chloroethylamino)-(4-propylphenyl)carbonyl-amino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrole-2-carboxamide hydrochloride

Systemtic Name: N-[2-[bis(azanyl)methylideneamino]ethyl]-4-[[4-[[4-[(2-chloroethylamino)-(4-propylphenyl)carbonyl-amino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrole-2-carboxamide hydrochloride Openeye Name: 4-[[4-[[4-[(2-chloroethylamino)-(4-propylbenzoyl)amino]-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]-N-(2-guanidinoethyl)-1-methyl-pyrrole-2-carboxamide hydrochloride CAS Name: 4-[[[4-[[[4-[(2-chloroethylamino)-[oxo-(4-propylphenyl)methyl]amino]-1-methyl-2-pyrrolyl]-oxomethyl]amino]-1-methyl-2-pyrrolyl]-oxomethyl]amino]-N-[2-(diaminomethylideneamino)ethyl]-1-methyl-2-pyrrolecarboxamide hydrochloride IUPAC Name: 4-[[4-[[4-[(2-chloroethylamino)-(4-propylbenzoyl)amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-N-[2-(diaminomethylideneamino)ethyl]-1-methylpyrrole-2-carboxamide hydrochloride Traditional Name: 4-[[4-[[4-[(2-chloroethylamino)-(4-propylbenzoyl)amino]-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]-N-(2-guanidinoethyl)-1-methyl-pyrrole-2-carboxamide hydrochloride Formula: C33H43Cl2N11O4 MolecularWeight: 728.67182

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)N(C2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NC4=CN(C(=C4)C(=O)NCCN=C(N)N)C)C)C)NCCCl.Cl

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)N(C2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NC4=CN(C(=C4)C(=O)NCCN=C(N)N)C)C)C)NCCCl.Cl

InChI

InChI=1S/C33H42ClN11O4.ClH/c1-5-6-21-7-9-22(10-8-21)32(49)45(39-12-11-34)25-17-28(44(4)20-25)31(48)41-24-16-27(43(3)19-24)30(47)40-23-15-26(42(2)18-23)29(46)37-13-14-38-33(35)36;/h7-10,15-20,39H,5-6,11-14H2,1-4H3,(H,37,46)(H,40,47)(H,41,48)(H4,35,36,38);1H