3-[[(2E)-2-(2-azaniumyl-1,3-thiazol-4-yl)-2-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)oxyimino-ethanoyl]amino]-2-methyl-4-oxidanylidene-azetidine-1-sulfonate

Systemtic Name: 3-[[(2E)-2-(2-azaniumyl-1,3-thiazol-4-yl)-2-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)oxyimino-ethanoyl]amino]-2-methyl-4-oxidanylidene-azetidine-1-sulfonate Openeye Name: 3-[[(2E)-2-(2-azaniumylthiazol-4-yl)-2-(2-hydroxy-1,1-dimethyl-2-oxo-ethoxy)imino-acetyl]amino]-2-methyl-4-oxo-azetidine-1-sulfonate CAS Name: 3-[[(2E)-2-(2-ammonio-4-thiazolyl)-2-(1-hydroxy-2-methyl-1-oxopropan-2-yl)oxyimino-1-oxoethyl]amino]-2-methyl-4-oxo-1-azetidinesulfonate IUPAC Name: 3-[[(2E)-2-(2-azaniumyl-1,3-thiazol-4-yl)-2-(1-hydroxy-2-methyl-1-oxopropan-2-yl)oxyiminoacetyl]amino]-2-methyl-4-oxoazetidine-1-sulfonate Traditional Name: 3-[[(2E)-2-(2-ammoniothiazol-4-yl)-2-(2-hydroxy-2-keto-1,1-dimethyl-ethyl)oximino-acetyl]amino]-2-keto-4-methyl-azetidine-1-sulfonate Formula: C26H34N10O16S4 MolecularWeight: 870.86556

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=O)N1S(=O)(=O)[O-])NC(=O)C(=NOC(C)(C)C(=O)O)C2=CSC(=N2)[NH3+].CC1C(C(=O)N1S(=O)(=O)[O-])NC(=O)C(=NOC(C)(C)C(=O)O)C2=CSC(=N2)[NH3+]

Isomeric SMILES

CC1N(C(=O)C1NC(=O)/C(=N/OC(C(=O)O)(C)C)/C2=CSC(=N2)[NH3+])S(=O)(=O)[O-].CC1N(C(=O)C1NC(=O)/C(=N/OC(C(=O)O)(C)C)/C2=CSC(=N2)[NH3+])S(=O)(=O)[O-]

InChI

InChI=1S/2C13H17N5O8S2/c2*1-5-7(10(20)18(5)28(23,24)25)16-9(19)8(6-4-27-12(14)15-6)17-26-13(2,3)11(21)22/h2*4-5,7H,1-3H3,(H2,14,15)(H,16,19)(H,21,22)(H,23,24,25)/b2*17-8+