7-[[2-(2-hydroxyphenyl)-2-[(2-oxidanyl-2-phenyl-ethanoyl)amino]ethanoyl]amino]-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[[2-(2-hydroxyphenyl)-2-[(2-oxidanyl-2-phenyl-ethanoyl)amino]ethanoyl]amino]-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[2-(2-hydroxyphenyl)-2-[(2-hydroxy-2-phenyl-acetyl)amino]acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[2-[(2-hydroxy-1-oxo-2-phenylethyl)amino]-2-(2-hydroxyphenyl)-1-oxoethyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[2-(2-hydroxyphenyl)-2-[(2-hydroxy-2-phenylacetyl)amino]acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[2-(2-hydroxyphenyl)-2-(mandeloylamino)acetyl]amino]-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C24H23N3O7S MolecularWeight: 497.52032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3O)NC(=O)C(C4=CC=CC=C4)O)SC1)C(=O)O

Isomeric SMILES

CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3O)NC(=O)C(C4=CC=CC=C4)O)SC1)C(=O)O

InChI

InChI=1S/C24H23N3O7S/c1-12-11-35-23-17(22(32)27(23)18(12)24(33)34)26-20(30)16(14-9-5-6-10-15(14)28)25-21(31)19(29)13-7-3-2-4-8-13/h2-10,16-17,19,23,28-29H,11H2,1H3,(H,25,31)(H,26,30)(H,33,34)