4-[3-[[4-[[4-[[4,5-bis(bromanyl)-3-chloranyl-thiophen-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]propanoylamino]-N-[5-[[3-[3-(dimethylamino)propylamino]-3-oxidanylidene-propyl]carbamoyl]-1-methyl-pyrrol-3-yl]-1-methyl-pyrrole-2-carboxamide

Systemtic Name: 4-[3-[[4-[[4-[[4,5-bis(bromanyl)-3-chloranyl-thiophen-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]propanoylamino]-N-[5-[[3-[3-(dimethylamino)propylamino]-3-oxidanylidene-propyl]carbamoyl]-1-methyl-pyrrol-3-yl]-1-methyl-pyrrole-2-carboxamide Openeye Name: 4-[3-[[4-[[4-[(4,5-dibromo-3-chloro-thiophene-2-carbonyl)amino]-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]propanoylamino]-N-[5-[[3-[3-(dimethylamino)propylamino]-3-oxo-propyl]carbamoyl]-1-methyl-pyrrol-3-yl]-1-methyl-pyrrole-2-carboxamide CAS Name: 4-[[3-[[[4-[[[4-[[(4,5-dibromo-3-chloro-2-thiophenyl)-oxomethyl]amino]-1-methyl-2-pyrrolyl]-oxomethyl]amino]-1-methyl-2-pyrrolyl]-oxomethyl]amino]-1-oxopropyl]amino]-N-[5-[[[3-[3-(dimethylamino)propylamino]-3-oxopropyl]amino]-oxomethyl]-1-methyl-3-pyrrolyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: 4-[3-[[4-[[4-[(4,5-dibromo-3-chlorothiophene-2-carbonyl)amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]propanoylamino]-N-[5-[[3-[3-(dimethylamino)propylamino]-3-oxopropyl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide Traditional Name: 4-[3-[[4-[[4-[(4,5-dibromo-3-chloro-thiophene-2-carbonyl)amino]-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]propanoylamino]-N-[5-[[3-[3-(dimethylamino)propylamino]-3-keto-propyl]carbamoyl]-1-methyl-pyrrol-3-yl]-1-methyl-pyrrole-2-carboxamide Formula: C40H47Br2ClN12O7S MolecularWeight: 1035.20338

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NCCC(=O)NCCCN(C)C)C)NC(=O)CCNC(=O)C3=CC(=CN3C)NC(=O)C4=CC(=CN4C)NC(=O)C5=C(C(=C(S5)Br)Br)Cl

Isomeric SMILES

CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NCCC(=O)NCCCN(C)C)C)NC(=O)CCNC(=O)C3=CC(=CN3C)NC(=O)C4=CC(=CN4C)NC(=O)C5=C(C(=C(S5)Br)Br)Cl

InChI

InChI=1S/C40H47Br2ClN12O7S/c1-51(2)13-7-10-44-30(56)8-11-45-36(58)26-15-23(19-52(26)3)48-38(60)28-14-22(18-54(28)5)47-31(57)9-12-46-37(59)27-16-24(20-53(27)4)49-39(61)29-17-25(21-55(29)6)50-40(62)34-33(43)32(41)35(42)63-34/h14-21H,7-13H2,1-6H3,(H,44,56)(H,45,58)(H,46,59)(H,47,57)(H,48,60)(H,49,61)(H,50,62)