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

Systemtic Name: 4-[3-[[4-[[4-[[4,5-bis(bromanyl)thiophen-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]propanoylamino]-1-methyl-N-[1-methyl-5-[[3-oxidanylidene-3-(3-piperazin-1-ylpropylamino)propyl]carbamoyl]pyrrol-3-yl]pyrrole-2-carboxamide Openeye Name: 4-[3-[[4-[[4-[(4,5-dibromothiophene-2-carbonyl)amino]-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]propanoylamino]-1-methyl-N-[1-methyl-5-[[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]carbamoyl]pyrrol-3-yl]pyrrole-2-carboxamide CAS Name: 4-[[3-[[[4-[[[4-[[(4,5-dibromo-2-thiophenyl)-oxomethyl]amino]-1-methyl-2-pyrrolyl]-oxomethyl]amino]-1-methyl-2-pyrrolyl]-oxomethyl]amino]-1-oxopropyl]amino]-1-methyl-N-[1-methyl-5-[oxo-[[3-oxo-3-[3-(1-piperazinyl)propylamino]propyl]amino]methyl]-3-pyrrolyl]-2-pyrrolecarboxamide IUPAC Name: 4-[3-[[4-[[4-[(4,5-dibromothiophene-2-carbonyl)amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]propanoylamino]-1-methyl-N-[1-methyl-5-[[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]carbamoyl]pyrrol-3-yl]pyrrole-2-carboxamide Traditional Name: 4-[3-[[4-[[4-[(4,5-dibromothiophene-2-carbonyl)amino]-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]propanoylamino]-N-[5-[[3-keto-3-(3-piperazinopropylamino)propyl]carbamoyl]-1-methyl-pyrrol-3-yl]-1-methyl-pyrrole-2-carboxamide Formula: C42H51Br2N13O7S MolecularWeight: 1041.81024

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NCCC(=O)NCCCN3CCNCC3)C)NC(=O)CCNC(=O)C4=CC(=CN4C)NC(=O)C5=CC(=CN5C)NC(=O)C6=CC(=C(S6)Br)Br

Isomeric SMILES

CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NCCC(=O)NCCCN3CCNCC3)C)NC(=O)CCNC(=O)C4=CC(=CN4C)NC(=O)C5=CC(=CN5C)NC(=O)C6=CC(=C(S6)Br)Br

InChI

InChI=1S/C42H51Br2N13O7S/c1-53-22-26(17-30(53)38(60)47-9-6-35(58)46-8-5-13-57-14-11-45-12-15-57)50-40(62)32-16-25(21-55(32)3)49-36(59)7-10-48-39(61)31-18-27(23-54(31)2)51-41(63)33-19-28(24-56(33)4)52-42(64)34-20-29(43)37(44)65-34/h16-24,45H,5-15H2,1-4H3,(H,46,58)(H,47,60)(H,48,61)(H,49,59)(H,50,62)(H,51,63)(H,52,64)