7-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-[1-(4-hydroxyphenyl)sulfanyl-2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethoxy]imino-ethanoyl]amino]-3-[(4-carboxy-3-oxidanylidene-1,2-thiazol-5-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-[1-(4-hydroxyphenyl)sulfanyl-2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethoxy]imino-ethanoyl]amino]-3-[(4-carboxy-3-oxidanylidene-1,2-thiazol-5-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-[2-tert-butoxy-1-(4-hydroxyphenyl)sulfanyl-2-oxo-ethoxy]imino-acetyl]amino]-3-[(4-carboxy-3-oxo-isothiazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-[1-[(4-hydroxyphenyl)thio]-2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]imino-1-oxoethyl]amino]-3-[[(4-carboxy-3-oxo-5-isothiazolyl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[1-(4-hydroxyphenyl)sulfanyl-2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]iminoacetyl]amino]-3-[(4-carboxy-3-oxo-1,2-thiazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-[2-tert-butoxy-1-[(4-hydroxyphenyl)thio]-2-keto-ethyl]oximino-acetyl]amino]-3-[[(4-carboxy-3-keto-4-isothiazolin-5-yl)thio]methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C29H28N6O11S5 MolecularWeight: 796.89122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(ON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=C(C(=O)NS4)C(=O)O)C(=O)O)SC5=CC=C(C=C5)O

Isomeric SMILES

CC(C)(C)OC(=O)C(O/N=C(/C1=CSC(=N1)N)\C(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=C(C(=O)NS4)C(=O)O)C(=O)O)SC5=CC=C(C=C5)O

InChI

InChI=1S/C29H28N6O11S5/c1-29(2,3)45-25(44)26(50-13-6-4-12(36)5-7-13)46-33-16(14-10-49-28(30)31-14)20(38)32-17-21(39)35-18(24(42)43)11(8-47-22(17)35)9-48-27-15(23(40)41)19(37)34-51-27/h4-7,10,17,22,26,36H,8-9H2,1-3H3,(H2,30,31)(H,32,38)(H,34,37)(H,40,41)(H,42,43)/b33-16-