7-[[2-[carboxy-(4-oxidanylidene-1H-1,5-naphthyridin-3-yl)amino]-2-(4-hydroxyphenyl)ethanoyl]amino]-7-methoxy-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[[2-[carboxy-(4-oxidanylidene-1H-1,5-naphthyridin-3-yl)amino]-2-(4-hydroxyphenyl)ethanoyl]amino]-7-methoxy-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[2-[carboxy-(4-oxo-1H-1,5-naphthyridin-3-yl)amino]-2-(4-hydroxyphenyl)acetyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[2-[carboxy-(4-oxo-1H-1,5-naphthyridin-3-yl)amino]-2-(4-hydroxyphenyl)-1-oxoethyl]amino]-7-methoxy-3-[[(1-methyl-5-tetrazolyl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[2-[carboxy-(4-oxo-1H-1,5-naphthyridin-3-yl)amino]-2-(4-hydroxyphenyl)acetyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[2-[carboxy-(4-keto-1H-1,5-naphthyridin-3-yl)amino]-2-(4-hydroxyphenyl)acetyl]amino]-8-keto-7-methoxy-3-[[(1-methyltetrazol-5-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C28H25N9O9S2 MolecularWeight: 695.683

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)(NC(=O)C(C4=CC=C(C=C4)O)N(C5=CNC6=C(C5=O)N=CC=C6)C(=O)O)OC)SC2)C(=O)O

Isomeric SMILES

CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)(NC(=O)C(C4=CC=C(C=C4)O)N(C5=CNC6=C(C5=O)N=CC=C6)C(=O)O)OC)SC2)C(=O)O

InChI

InChI=1S/C28H25N9O9S2/c1-35-26(32-33-34-35)48-12-14-11-47-25-28(46-2,24(43)37(25)20(14)23(41)42)31-22(40)19(13-5-7-15(38)8-6-13)36(27(44)45)17-10-30-16-4-3-9-29-18(16)21(17)39/h3-10,19,25,38H,11-12H2,1-2H3,(H,30,39)(H,31,40)(H,41,42)(H,44,45)