[2-oxidanylidene-3-[(7-oxidanyl-6-oxidanylidene-2H-isoquinolin-3-yl)carbonylamino]imidazolidin-1-yl]sulfonyl (E)-3-(1-aminocarbonyl-2-oxidanylidene-azetidin-3-yl)-5-azanyl-2-azanyloxy-2-methyl-5-oxidanylidene-pent-3-enoate

Systemtic Name: [2-oxidanylidene-3-[(7-oxidanyl-6-oxidanylidene-2H-isoquinolin-3-yl)carbonylamino]imidazolidin-1-yl]sulfonyl (E)-3-(1-aminocarbonyl-2-oxidanylidene-azetidin-3-yl)-5-azanyl-2-azanyloxy-2-methyl-5-oxidanylidene-pent-3-enoate Openeye Name: [3-[(7-hydroxy-6-oxo-2H-isoquinoline-3-carbonyl)amino]-2-oxo-imidazolidin-1-yl]sulfonyl (E)-5-amino-2-aminooxy-3-(1-carbamoyl-2-oxo-azetidin-3-yl)-2-methyl-5-oxo-pent-3-enoate CAS Name: (E)-5-amino-2-aminooxy-3-(1-carbamoyl-2-oxo-3-azetidinyl)-2-methyl-5-oxo-3-pentenoic acid [3-[[(7-hydroxy-6-oxo-2H-isoquinolin-3-yl)-oxomethyl]amino]-2-oxo-1-imidazolidinyl]sulfonyl ester IUPAC Name: [3-[(7-hydroxy-6-oxo-2H-isoquinoline-3-carbonyl)amino]-2-oxoimidazolidin-1-yl]sulfonyl (E)-5-amino-2-aminooxy-3-(1-carbamoyl-2-oxoazetidin-3-yl)-2-methyl-5-oxopent-3-enoate Traditional Name: (E)-5-amino-2-aminooxy-3-(1-carbamoyl-2-keto-azetidin-3-yl)-5-keto-2-methyl-pent-3-enoic acid [3-[(7-hydroxy-6-keto-2H-isoquinoline-3-carbonyl)amino]-2-keto-imidazolidin-1-yl]sulfonyl ester Formula: C23H24N8O12S MolecularWeight: 636.54806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=CC(=O)N)C1CN(C1=O)C(=O)N)(C(=O)OS(=O)(=O)N2CCN(C2=O)NC(=O)C3=CC4=CC(=O)C(=CC4=CN3)O)ON

Isomeric SMILES

CC(/C(=C/C(=O)N)/C1CN(C1=O)C(=O)N)(C(=O)OS(=O)(=O)N2CCN(C2=O)NC(=O)C3=CC4=CC(=O)C(=CC4=CN3)O)ON

InChI

InChI=1S/C23H24N8O12S/c1-23(43-26,13(7-17(24)34)12-9-29(19(12)36)21(25)38)20(37)42-44(40,41)31-3-2-30(22(31)39)28-18(35)14-4-10-5-15(32)16(33)6-11(10)8-27-14/h4-8,12,27,33H,2-3,9,26H2,1H3,(H2,24,34)(H2,25,38)(H,28,35)/b13-7+