N-(3-azanyl-3-oxidanylidene-propyl)-4-[[4-[[4-[(2-chloroethylamino)-(4-ethyl-3-methyl-phenyl)carbonyl-amino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrole-2-carboxamide

Systemtic Name: N-(3-azanyl-3-oxidanylidene-propyl)-4-[[4-[[4-[(2-chloroethylamino)-(4-ethyl-3-methyl-phenyl)carbonyl-amino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrole-2-carboxamide Openeye Name: N-(3-amino-3-oxo-propyl)-4-[[4-[[4-[(2-chloroethylamino)-(4-ethyl-3-methyl-benzoyl)amino]-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carboxamide CAS Name: N-(3-amino-3-oxopropyl)-4-[[[4-[[[4-[(2-chloroethylamino)-[(4-ethyl-3-methylphenyl)-oxomethyl]amino]-1-methyl-2-pyrrolyl]-oxomethyl]amino]-1-methyl-2-pyrrolyl]-oxomethyl]amino]-1-methyl-2-pyrrolecarboxamide IUPAC Name: N-(3-amino-3-oxopropyl)-4-[[4-[[4-[(2-chloroethylamino)-(4-ethyl-3-methylbenzoyl)amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxamide Traditional Name: N-(3-amino-3-keto-propyl)-4-[[4-[[4-[(2-chloroethylamino)-(4-ethyl-3-methyl-benzoyl)amino]-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carboxamide Formula: C33H40ClN9O5 MolecularWeight: 678.181

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(=O)N(C2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NC4=CN(C(=C4)C(=O)NCCC(=O)N)C)C)C)NCCCl)C

Isomeric SMILES

CCC1=C(C=C(C=C1)C(=O)N(C2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NC4=CN(C(=C4)C(=O)NCCC(=O)N)C)C)C)NCCCl)C

InChI

InChI=1S/C33H40ClN9O5/c1-6-21-7-8-22(13-20(21)2)33(48)43(37-12-10-34)25-16-28(42(5)19-25)32(47)39-24-15-27(41(4)18-24)31(46)38-23-14-26(40(3)17-23)30(45)36-11-9-29(35)44/h7-8,13-19,37H,6,9-12H2,1-5H3,(H2,35,44)(H,36,45)(H,38,46)(H,39,47)