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

Systemtic Name: 3-(acetyloxymethyl)-7-[[2-[carboxy-(4-oxidanylidene-1H-1,5-naphthyridin-3-yl)amino]-2-(4-hydroxyphenyl)ethanoyl]amino]-7-methoxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-(acetoxymethyl)-7-[[2-[carboxy-(4-oxo-1H-1,5-naphthyridin-3-yl)amino]-2-(4-hydroxyphenyl)acetyl]amino]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-(acetyloxymethyl)-7-[[2-[carboxy-(4-oxo-1H-1,5-naphthyridin-3-yl)amino]-2-(4-hydroxyphenyl)-1-oxoethyl]amino]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-(acetyloxymethyl)-7-[[2-[carboxy-(4-oxo-1H-1,5-naphthyridin-3-yl)amino]-2-(4-hydroxyphenyl)acetyl]amino]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-(acetoxymethyl)-7-[[2-[carboxy-(4-keto-1H-1,5-naphthyridin-3-yl)amino]-2-(4-hydroxyphenyl)acetyl]amino]-8-keto-7-methoxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C28H25N5O11S MolecularWeight: 639.59

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(N2C(C(C2=O)(NC(=O)C(C3=CC=C(C=C3)O)N(C4=CNC5=C(C4=O)N=CC=C5)C(=O)O)OC)SC1)C(=O)O

Isomeric SMILES

CC(=O)OCC1=C(N2C(C(C2=O)(NC(=O)C(C3=CC=C(C=C3)O)N(C4=CNC5=C(C4=O)N=CC=C5)C(=O)O)OC)SC1)C(=O)O

InChI

InChI=1S/C28H25N5O11S/c1-13(34)44-11-15-12-45-26-28(43-2,25(40)33(26)21(15)24(38)39)31-23(37)20(14-5-7-16(35)8-6-14)32(27(41)42)18-10-30-17-4-3-9-29-19(17)22(18)36/h3-10,20,26,35H,11-12H2,1-2H3,(H,30,36)(H,31,37)(H,38,39)(H,41,42)