methyl-bis[2-[[1-methyl-4-[[1-methyl-4-[[6-(oxidanylamino)-6-oxidanylidene-hexanoyl]amino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]ethyl]azanium chloride

Systemtic Name: methyl-bis[2-[[1-methyl-4-[[1-methyl-4-[[6-(oxidanylamino)-6-oxidanylidene-hexanoyl]amino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]ethyl]azanium chloride Openeye Name: bis[2-[[4-[[4-[[6-(hydroxyamino)-6-oxo-hexanoyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]ethyl]-methyl-ammonium chloride CAS Name: bis[2-[[[4-[[[4-[[6-(hydroxyamino)-1,6-dioxohexyl]amino]-1-methyl-2-pyrrolyl]-oxomethyl]amino]-1-methyl-2-pyrrolyl]-oxomethyl]amino]ethyl]-methylammonium chloride IUPAC Name: bis[2-[[4-[[4-[[6-(hydroxyamino)-6-oxohexanoyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]ethyl]-methylazanium chloride Traditional Name: bis[2-[[4-[[4-[[6-(hydroxyamino)-6-keto-hexanoyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]ethyl]-methyl-ammonium chloride Formula: C41H58ClN13O10 MolecularWeight: 928.43332

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NCC[NH+](C)CCNC(=O)C3=CC(=CN3C)NC(=O)C4=CC(=CN4C)NC(=O)CCCCC(=O)NO)C)NC(=O)CCCCC(=O)NO.[Cl-]

Isomeric SMILES

CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NCC[NH+](C)CCNC(=O)C3=CC(=CN3C)NC(=O)C4=CC(=CN4C)NC(=O)CCCCC(=O)NO)C)NC(=O)CCCCC(=O)NO.[Cl-]

InChI

InChI=1S/C41H57N13O10.ClH/c1-50(16-14-42-38(59)30-20-28(24-51(30)2)46-40(61)32-18-26(22-53(32)4)44-34(55)10-6-8-12-36(57)48-63)17-15-43-39(60)31-21-29(25-52(31)3)47-41(62)33-19-27(23-54(33)5)45-35(56)11-7-9-13-37(58)49-64;/h18-25,63-64H,6-17H2,1-5H3,(H,42,59)(H,43,60)(H,44,55)(H,45,56)(H,46,61)(H,47,62)(H,48,57)(H,49,58);1H