7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-(1-carboxycyclopentyl)oxyimino-ethanoyl]amino]-3-[[[3-fluoranyl-4,5-bis(oxidanyl)phenyl]carbonylamino]methyl]-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-(1-carboxycyclopentyl)oxyimino-ethanoyl]amino]-3-[[[3-fluoranyl-4,5-bis(oxidanyl)phenyl]carbonylamino]methyl]-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-(1-carboxycyclopentoxy)imino-acetyl]amino]-3-[[(3-fluoro-4,5-dihydroxy-benzoyl)amino]methyl]-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-(1-carboxycyclopentyl)oxyimino-1-oxoethyl]amino]-3-[[[(3-fluoro-4,5-dihydroxyphenyl)-oxomethyl]amino]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-(1-carboxycyclopentyl)oxyiminoacetyl]amino]-3-[[(3-fluoro-4,5-dihydroxybenzoyl)amino]methyl]-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-(1-carboxycyclopentyl)oximino-acetyl]amino]-3-[[(3-fluoro-4,5-dihydroxy-benzoyl)amino]methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C26H25FN6O10S2 MolecularWeight: 664.639303

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C(=O)O)ON=C(C2=CSC(=N2)N)C(=O)NC3C4N(C3=O)C(=C(CS4)CNC(=O)C5=CC(=C(C(=C5)F)O)O)C(=O)O

Isomeric SMILES

C1CCC(C1)(C(=O)O)O/N=C(\C2=CSC(=N2)N)/C(=O)NC3C4N(C3=O)C(=C(CS4)CNC(=O)C5=CC(=C(C(=C5)F)O)O)C(=O)O

InChI

InChI=1S/C26H25FN6O10S2/c27-12-5-10(6-14(34)18(12)35)19(36)29-7-11-8-44-22-16(21(38)33(22)17(11)23(39)40)31-20(37)15(13-9-45-25(28)30-13)32-43-26(24(41)42)3-1-2-4-26/h5-6,9,16,22,34-35H,1-4,7-8H2,(H2,28,30)(H,29,36)(H,31,37)(H,39,40)(H,41,42)/b32-15+