7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-(4-oxidanyl-4-oxidanylidene-butan-2-yl)oxyimino-ethanoyl]amino]-3-[[5,6-bis(oxidanyl)-1H-benzimidazol-2-yl]sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-(4-oxidanyl-4-oxidanylidene-butan-2-yl)oxyimino-ethanoyl]amino]-3-[[5,6-bis(oxidanyl)-1H-benzimidazol-2-yl]sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-(3-hydroxy-1-methyl-3-oxo-propoxy)imino-acetyl]amino]-3-[(5,6-dihydroxy-1H-benzimidazol-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(2E)-2-(2-amino-4-thiazolyl)-2-(4-hydroxy-4-oxobutan-2-yl)oxyimino-1-oxoethyl]amino]-3-[[(5,6-dihydroxy-1H-benzimidazol-2-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(4-hydroxy-4-oxobutan-2-yl)oxyiminoacetyl]amino]-3-[(5,6-dihydroxy-1H-benzimidazol-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-(3-hydroxy-3-keto-1-methyl-propyl)oximino-acetyl]amino]-3-[[(5,6-dihydroxy-1H-benzimidazol-2-yl)thio]methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C24H23N7O9S3 MolecularWeight: 649.67592

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)ON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=NC5=CC(=C(C=C5N4)O)O)C(=O)O

Isomeric SMILES

CC(CC(=O)O)O/N=C(\C1=CSC(=N1)N)/C(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=NC5=CC(=C(C=C5N4)O)O)C(=O)O

InChI

InChI=1S/C24H23N7O9S3/c1-8(2-15(34)35)40-30-16(12-7-42-23(25)26-12)19(36)29-17-20(37)31-18(22(38)39)9(5-41-21(17)31)6-43-24-27-10-3-13(32)14(33)4-11(10)28-24/h3-4,7-8,17,21,32-33H,2,5-6H2,1H3,(H2,25,26)(H,27,28)(H,29,36)(H,34,35)(H,38,39)/b30-16+