2-[(Z)-[1-(2-azanyl-1,3-thiazol-4-yl)-2-oxidanylidene-2-[(2-oxidanylidene-3-sulfooxy-7-oxa-3-azaspiro[3.5]nonan-1-yl)amino]ethylidene]amino]oxyethanoic acid

Systemtic Name: 2-[(Z)-[1-(2-azanyl-1,3-thiazol-4-yl)-2-oxidanylidene-2-[(2-oxidanylidene-3-sulfooxy-7-oxa-3-azaspiro[3.5]nonan-1-yl)amino]ethylidene]amino]oxyethanoic acid Openeye Name: 2-[(Z)-[1-(2-aminothiazol-4-yl)-2-oxo-2-[(2-oxo-3-sulfooxy-7-oxa-3-azaspiro[3.5]nonan-1-yl)amino]ethylidene]amino]oxyacetic acid CAS Name: 2-[(Z)-[1-(2-amino-4-thiazolyl)-2-oxo-2-[(2-oxo-3-sulfooxy-7-oxa-3-azaspiro[3.5]nonan-1-yl)amino]ethylidene]amino]oxyacetic acid IUPAC Name: 2-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-oxo-2-[(2-oxo-3-sulfooxy-7-oxa-3-azaspiro[3.5]nonan-1-yl)amino]ethylidene]amino]oxyacetic acid Traditional Name: 2-[(Z)-[1-(2-aminothiazol-4-yl)-2-keto-2-[(2-keto-3-sulfoxy-7-oxa-3-azaspiro[3.5]nonan-1-yl)amino]ethylidene]amino]oxyacetic acid Formula: C14H17N5O10S2 MolecularWeight: 479.44228

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC12C(C(=O)N2OS(=O)(=O)O)NC(=O)C(=NOCC(=O)O)C3=CSC(=N3)N

Isomeric SMILES

C1COCCC12C(C(=O)N2OS(=O)(=O)O)NC(=O)/C(=N\OCC(=O)O)/C3=CSC(=N3)N

InChI

InChI=1S/C14H17N5O10S2/c15-13-16-7(6-30-13)9(18-28-5-8(20)21)11(22)17-10-12(23)19(29-31(24,25)26)14(10)1-3-27-4-2-14/h6,10H,1-5H2,(H2,15,16)(H,17,22)(H,20,21)(H,24,25,26)/b18-9-