N-[5-[[3-[(3-azanyl-2,2-dimethyl-propyl)amino]-3-oxidanylidene-propyl]carbamoyl]-1-methyl-pyrrol-3-yl]-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-pyrrole-2-carboxamide

Systemtic Name: N-[5-[[3-[(3-azanyl-2,2-dimethyl-propyl)amino]-3-oxidanylidene-propyl]carbamoyl]-1-methyl-pyrrol-3-yl]-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-pyrrole-2-carboxamide Openeye Name: N-[5-[[3-[(3-amino-2,2-dimethyl-propyl)amino]-3-oxo-propyl]carbamoyl]-1-methyl-pyrrol-3-yl]-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-pyrrole-2-carboxamide CAS Name: N-[5-[[[3-[(3-amino-2,2-dimethylpropyl)amino]-3-oxopropyl]amino]-oxomethyl]-1-methyl-3-pyrrolyl]-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-2-pyrrolecarboxamide IUPAC Name: N-[5-[[3-[(3-amino-2,2-dimethylpropyl)amino]-3-oxopropyl]carbamoyl]-1-methylpyrrol-3-yl]-4-[3-[[4-[[4-[(4,5-dibromothiophene-2-carbonyl)amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]propanoylamino]-1-methylpyrrole-2-carboxamide Traditional Name: N-[5-[[3-[(3-amino-2,2-dimethyl-propyl)amino]-3-keto-propyl]carbamoyl]-1-methyl-pyrrol-3-yl]-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-pyrrole-2-carboxamide Formula: C40H48Br2N12O7S MolecularWeight: 1000.75832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN)CNC(=O)CCNC(=O)C1=CC(=CN1C)NC(=O)C2=CC(=CN2C)NC(=O)CCNC(=O)C3=CC(=CN3C)NC(=O)C4=CC(=CN4C)NC(=O)C5=CC(=C(S5)Br)Br

Isomeric SMILES

CC(C)(CN)CNC(=O)CCNC(=O)C1=CC(=CN1C)NC(=O)C2=CC(=CN2C)NC(=O)CCNC(=O)C3=CC(=CN3C)NC(=O)C4=CC(=CN4C)NC(=O)C5=CC(=C(S5)Br)Br

InChI

InChI=1S/C40H48Br2N12O7S/c1-40(2,20-43)21-46-32(55)7-9-44-35(57)27-12-23(17-51(27)3)48-37(59)29-11-22(16-53(29)5)47-33(56)8-10-45-36(58)28-13-24(18-52(28)4)49-38(60)30-14-25(19-54(30)6)50-39(61)31-15-26(41)34(42)62-31/h11-19H,7-10,20-21,43H2,1-6H3,(H,44,57)(H,45,58)(H,46,55)(H,47,56)(H,48,59)(H,49,60)(H,50,61)