N-[(3Z)-3-azanyl-3-hydroxyimino-propyl]-4-[[4-[[4-[(2-bromoethylamino)-(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-[(3Z)-3-azanyl-3-hydroxyimino-propyl]-4-[[4-[[4-[(2-bromoethylamino)-(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-[(3Z)-3-amino-3-hydroxyimino-propyl]-4-[[4-[[4-[(2-bromoethylamino)-(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-[(3Z)-3-amino-3-hydroxyiminopropyl]-4-[[[4-[[[4-[(2-bromoethylamino)-[(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-[(3Z)-3-amino-3-hydroxyiminopropyl]-4-[[4-[[4-[(2-bromoethylamino)-(4-ethyl-3-methylbenzoyl)amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxamide Traditional Name: N-[(3Z)-3-amino-3-hydroximino-propyl]-4-[[4-[[4-[(2-bromoethylamino)-(4-ethyl-3-methyl-benzoyl)amino]-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carboxamide Formula: C33H41BrN10O5 MolecularWeight: 737.64664

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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(=NO)N)C)C)C)NCCBr)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)NCC/C(=N/O)/N)C)C)C)NCCBr)C

InChI

InChI=1S/C33H41BrN10O5/c1-6-21-7-8-22(13-20(21)2)33(48)44(37-12-10-34)25-16-28(43(5)19-25)32(47)39-24-15-27(42(4)18-24)31(46)38-23-14-26(41(3)17-23)30(45)36-11-9-29(35)40-49/h7-8,13-19,37,49H,6,9-12H2,1-5H3,(H2,35,40)(H,36,45)(H,38,46)(H,39,47)