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

Systemtic Name: methyl-bis[2-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[6-(oxidanylamino)-6-oxidanylidene-hexanoyl]amino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]ethyl]azanium chloride Openeye Name: bis[2-[[4-[[4-[[4-[[6-(hydroxyamino)-6-oxo-hexanoyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]ethyl]-methyl-ammonium chloride CAS Name: bis[2-[[[4-[[[4-[[[4-[[6-(hydroxyamino)-1,6-dioxohexyl]amino]-1-methyl-2-pyrrolyl]-oxomethyl]amino]-1-methyl-2-pyrrolyl]-oxomethyl]amino]-1-methyl-2-pyrrolyl]-oxomethyl]amino]ethyl]-methylammonium chloride IUPAC Name: bis[2-[[4-[[4-[[4-[[6-(hydroxyamino)-6-oxohexanoyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]ethyl]-methylazanium chloride Traditional Name: bis[2-[[4-[[4-[[4-[[6-(hydroxyamino)-6-keto-hexanoyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]ethyl]-methyl-ammonium chloride Formula: C53H70ClN17O12 MolecularWeight: 1172.6826

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NCC[NH+](C)CCNC(=O)C4=CC(=CN4C)NC(=O)C5=CC(=CN5C)NC(=O)C6=CC(=CN6C)NC(=O)CCCCC(=O)NO)C)C)NC(=O)CCCCC(=O)NO.[Cl-]

Isomeric SMILES

CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NCC[NH+](C)CCNC(=O)C4=CC(=CN4C)NC(=O)C5=CC(=CN5C)NC(=O)C6=CC(=CN6C)NC(=O)CCCCC(=O)NO)C)C)NC(=O)CCCCC(=O)NO.[Cl-]

InChI

InChI=1S/C53H69N17O12.ClH/c1-64(18-16-54-48(75)38-22-34(28-65(38)2)58-52(79)42-24-36(30-69(42)6)60-50(77)40-20-32(26-67(40)4)56-44(71)12-8-10-14-46(73)62-81)19-17-55-49(76)39-23-35(29-66(39)3)59-53(80)43-25-37(31-70(43)7)61-51(78)41-21-33(27-68(41)5)57-45(72)13-9-11-15-47(74)63-82;/h20-31,81-82H,8-19H2,1-7H3,(H,54,75)(H,55,76)(H,56,71)(H,57,72)(H,58,79)(H,59,80)(H,60,77)(H,61,78)(H,62,73)(H,63,74);1H