3-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-[1-[2-[3,4-bis(oxidanyl)-5-sulfo-phenyl]carbonylhydrazinyl]-2-methyl-1-oxidanylidene-propan-2-yl]oxyimino-ethanoyl]amino]-2-methyl-4-oxidanylidene-azetidine-1-sulfonic acid

Systemtic Name: 3-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-[1-[2-[3,4-bis(oxidanyl)-5-sulfo-phenyl]carbonylhydrazinyl]-2-methyl-1-oxidanylidene-propan-2-yl]oxyimino-ethanoyl]amino]-2-methyl-4-oxidanylidene-azetidine-1-sulfonic acid Openeye Name: 3-[[(2E)-2-(2-aminothiazol-4-yl)-2-[2-[2-(3,4-dihydroxy-5-sulfo-benzoyl)hydrazino]-1,1-dimethyl-2-oxo-ethoxy]imino-acetyl]amino]-2-methyl-4-oxo-azetidine-1-sulfonic acid CAS Name: 3-[[(2E)-2-(2-amino-4-thiazolyl)-2-[1-[[(3,4-dihydroxy-5-sulfophenyl)-oxomethyl]hydrazo]-2-methyl-1-oxopropan-2-yl]oxyimino-1-oxoethyl]amino]-2-methyl-4-oxo-1-azetidinesulfonic acid IUPAC Name: 3-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-[1-[2-(3,4-dihydroxy-5-sulfobenzoyl)hydrazinyl]-2-methyl-1-oxopropan-2-yl]oxyiminoacetyl]amino]-2-methyl-4-oxoazetidine-1-sulfonic acid Traditional Name: 3-[[(2E)-2-(2-aminothiazol-4-yl)-2-[2-[N'-(3,4-dihydroxy-5-sulfo-benzoyl)hydrazino]-2-keto-1,1-dimethyl-ethyl]oximino-acetyl]amino]-2-keto-4-methyl-azetidine-1-sulfonic acid Formula: C20H23N7O13S3 MolecularWeight: 665.63072

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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)NNC(=O)C2=CC(=C(C(=C2)S(=O)(=O)O)O)O)C3=CSC(=N3)N

Isomeric SMILES

CC1C(C(=O)N1S(=O)(=O)O)NC(=O)/C(=N/OC(C)(C)C(=O)NNC(=O)C2=CC(=C(C(=C2)S(=O)(=O)O)O)O)/C3=CSC(=N3)N

InChI

InChI=1S/C20H23N7O13S3/c1-7-12(17(32)27(7)43(37,38)39)23-16(31)13(9-6-41-19(21)22-9)26-40-20(2,3)18(33)25-24-15(30)8-4-10(28)14(29)11(5-8)42(34,35)36/h4-7,12,28-29H,1-3H3,(H2,21,22)(H,23,31)(H,24,30)(H,25,33)(H,34,35,36)(H,37,38,39)/b26-13+