(Z)-[1-azanyl-2-oxidanylidene-2-[2-oxidanylidene-3-[[2-oxidanylidene-3-[(7-oxidanyl-6-oxidanylidene-2H-isoquinolin-3-yl)carbonylamino]imidazolidin-1-yl]sulfonylcarbamoyl]azetidin-3-yl]ethylidene]-(2-azanyl-1,3-thiazol-4-yl)-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)oxy-azanium

Systemtic Name: (Z)-[1-azanyl-2-oxidanylidene-2-[2-oxidanylidene-3-[[2-oxidanylidene-3-[(7-oxidanyl-6-oxidanylidene-2H-isoquinolin-3-yl)carbonylamino]imidazolidin-1-yl]sulfonylcarbamoyl]azetidin-3-yl]ethylidene]-(2-azanyl-1,3-thiazol-4-yl)-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)oxy-azanium Openeye Name: (Z)-[1-amino-2-[3-[[3-[(7-hydroxy-6-oxo-2H-isoquinoline-3-carbonyl)amino]-2-oxo-imidazolidin-1-yl]sulfonylcarbamoyl]-2-oxo-azetidin-3-yl]-2-oxo-ethylidene]-(2-aminothiazol-4-yl)-(2-hydroxy-1,1-dimethyl-2-oxo-ethoxy)ammonium CAS Name: (Z)-[1-amino-2-[3-[[[3-[[(7-hydroxy-6-oxo-2H-isoquinolin-3-yl)-oxomethyl]amino]-2-oxo-1-imidazolidinyl]sulfonylamino]-oxomethyl]-2-oxo-3-azetidinyl]-2-oxoethylidene]-(2-amino-4-thiazolyl)-(1-hydroxy-2-methyl-1-oxopropan-2-yl)oxyammonium IUPAC Name: (Z)-[1-amino-2-[3-[[3-[(7-hydroxy-6-oxo-2H-isoquinoline-3-carbonyl)amino]-2-oxoimidazolidin-1-yl]sulfonylcarbamoyl]-2-oxoazetidin-3-yl]-2-oxoethylidene]-(2-amino-1,3-thiazol-4-yl)-(1-hydroxy-2-methyl-1-oxopropan-2-yl)oxyazanium Traditional Name: (Z)-[1-amino-2-[3-[[3-[(7-hydroxy-6-keto-2H-isoquinoline-3-carbonyl)amino]-2-keto-imidazolidin-1-yl]sulfonylcarbamoyl]-2-keto-azetidin-3-yl]-2-keto-ethylidene]-(2-aminothiazol-4-yl)-(2-hydroxy-2-keto-1,1-dimethyl-ethoxy)ammonium Formula: C26H27N10O12S2+ MolecularWeight: 735.68238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)O[N+](=C(C(=O)C1(CNC1=O)C(=O)NS(=O)(=O)N2CCN(C2=O)NC(=O)C3=CC4=CC(=O)C(=CC4=CN3)O)N)C5=CSC(=N5)N

Isomeric SMILES

CC(C)(C(=O)O)O/[N+](=C(/C(=O)C1(CNC1=O)C(=O)NS(=O)(=O)N2CCN(C2=O)NC(=O)C3=CC4=CC(=O)C(=CC4=CN3)O)\N)/C5=CSC(=N5)N

InChI

InChI=1S/C26H26N10O12S2/c1-25(2,22(43)44)48-36(16-9-49-23(28)31-16)18(27)17(39)26(10-30-20(26)41)21(42)33-50(46,47)35-4-3-34(24(35)45)32-19(40)13-5-11-6-14(37)15(38)7-12(11)8-29-13/h5-9H,3-4,10H2,1-2H3,(H9,27,28,29,30,31,32,33,37,38,39,40,41,42,43,44)/p+1