(6R,7R)-7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-[[1,5-bis(oxidanyl)-4-oxidanylidene-pyridin-2-yl]methoxyimino]ethanoyl]amino]-8-oxidanylidene-3-[(4-phenyl-1,3-thiazol-5-yl)sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: (6R,7R)-7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-[[1,5-bis(oxidanyl)-4-oxidanylidene-pyridin-2-yl]methoxyimino]ethanoyl]amino]-8-oxidanylidene-3-[(4-phenyl-1,3-thiazol-5-yl)sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: (6R,7R)-7-[[(2E)-2-(2-aminothiazol-4-yl)-2-[(1,5-dihydroxy-4-oxo-2-pyridyl)methoxyimino]acetyl]amino]-8-oxo-3-[(4-phenylthiazol-5-yl)sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: (6R,7R)-7-[[(2E)-2-(2-amino-4-thiazolyl)-2-[(1,5-dihydroxy-4-oxo-2-pyridinyl)methoxyimino]-1-oxoethyl]amino]-8-oxo-3-[[(4-phenyl-5-thiazolyl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: (6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-[(1,5-dihydroxy-4-oxopyridin-2-yl)methoxyimino]acetyl]amino]-8-oxo-3-[(4-phenyl-1,3-thiazol-5-yl)sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: (6R,7R)-7-[[(2E)-2-(2-aminothiazol-4-yl)-2-[(1,5-dihydroxy-4-keto-2-pyridyl)methyloximino]acetyl]amino]-8-keto-3-[[(4-phenylthiazol-5-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C28H23N7O8S4 MolecularWeight: 713.78432

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)C(=NOCC3=CC(=O)C(=CN3O)O)C4=CSC(=N4)N)C(=O)O)CSC5=C(N=CS5)C6=CC=CC=C6

Isomeric SMILES

C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)/C(=N/OCC3=CC(=O)C(=CN3O)O)/C4=CSC(=N4)N)C(=O)O)CSC5=C(N=CS5)C6=CC=CC=C6

InChI

InChI=1S/C28H23N7O8S4/c29-28-31-16(11-46-28)20(33-43-8-15-6-17(36)18(37)7-34(15)42)23(38)32-21-24(39)35-22(26(40)41)14(9-44-25(21)35)10-45-27-19(30-12-47-27)13-4-2-1-3-5-13/h1-7,11-12,21,25,37,42H,8-10H2,(H2,29,31)(H,32,38)(H,40,41)/b33-20+/t21-,25-/m1/s1