N-[5-[[3-(3-azanylpropylamino)-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-azanylpropylamino)-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-aminopropylamino)-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-aminopropylamino)-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-aminopropylamino)-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-aminopropylamino)-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: C38H44Br2N12O7S MolecularWeight: 972.70516

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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)NC(=O)CCNC(=O)C3=CC(=CN3C)NC(=O)C4=CC(=CN4C)NC(=O)C5=CC(=C(S5)Br)Br

Isomeric SMILES

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

InChI

InChI=1S/C38H44Br2N12O7S/c1-49-18-22(13-26(49)34(55)43-10-6-31(53)42-9-5-8-41)46-36(57)28-12-21(17-51(28)3)45-32(54)7-11-44-35(56)27-14-23(19-50(27)2)47-37(58)29-15-24(20-52(29)4)48-38(59)30-16-25(39)33(40)60-30/h12-20H,5-11,41H2,1-4H3,(H,42,53)(H,43,55)(H,44,56)(H,45,54)(H,46,57)(H,47,58)(H,48,59)