3-[4-(2-azanylethylsulfonylamino)-3-oxidanyl-phenyl]carbonyl-7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-7-methanoyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-[4-(2-azanylethylsulfonylamino)-3-oxidanyl-phenyl]carbonyl-7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-7-methanoyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-[4-(2-aminoethylsulfonylamino)-3-hydroxy-benzoyl]-7-[[(2E)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-7-formyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-[[4-(2-aminoethylsulfonylamino)-3-hydroxyphenyl]-oxomethyl]-7-[[(2E)-2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-7-formyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-[4-(2-aminoethylsulfonylamino)-3-hydroxybenzoyl]-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-7-formyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-methyloximino-acetyl]amino]-7-formyl-3-[3-hydroxy-4-(taurylamino)benzoyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C23H23N7O10S3 MolecularWeight: 653.66462

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Descriptors Computed from Structure

Canonical SMILES:

CON=C(C1=CSC(=N1)N)C(=O)NC2(C3N(C2=O)C(=C(CS3)C(=O)C4=CC(=C(C=C4)NS(=O)(=O)CCN)O)C(=O)O)C=O

Isomeric SMILES

CO/N=C(\C1=CSC(=N1)N)/C(=O)NC2(C3N(C2=O)C(=C(CS3)C(=O)C4=CC(=C(C=C4)NS(=O)(=O)CCN)O)C(=O)O)C=O

InChI

InChI=1S/C23H23N7O10S3/c1-40-28-15(13-8-42-22(25)26-13)18(34)27-23(9-31)20(37)30-16(19(35)36)11(7-41-21(23)30)17(33)10-2-3-12(14(32)6-10)29-43(38,39)5-4-24/h2-3,6,8-9,21,29,32H,4-5,7,24H2,1H3,(H2,25,26)(H,27,34)(H,35,36)/b28-15+