7-[[2-[4-[(2-azanyl-3-oxidanyl-3-oxidanylidene-propoxy)carbonylamino]phenyl]-2-oxidanyl-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-[4-[(2-azanyl-3-oxidanyl-3-oxidanylidene-propoxy)carbonylamino]phenyl]-2-oxidanyl-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-[4-[(2-amino-3-hydroxy-3-oxo-propoxy)carbonylamino]phenyl]-2-hydroxy-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-[4-[[(2-amino-3-hydroxy-3-oxopropoxy)-oxomethyl]amino]phenyl]-2-hydroxy-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-[4-[(2-amino-3-hydroxy-3-oxopropoxy)carbonylamino]phenyl]-2-hydroxyacetyl]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-[4-[(2-amino-3-hydroxy-3-keto-propoxy)carbonylamino]phenyl]-2-hydroxy-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: C23H26N8O10S2 MolecularWeight: 638.63014

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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)NC(=O)OCC(C(=O)O)N)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)NC(=O)OCC(C(=O)O)N)O)OC)SC2)C(=O)O

InChI

InChI=1S/C23H26N8O10S2/c1-30-21(27-28-29-30)43-9-11-8-42-20-23(40-2,19(38)31(20)14(11)18(36)37)26-16(33)15(32)10-3-5-12(6-4-10)25-22(39)41-7-13(24)17(34)35/h3-6,13,15,20,32H,7-9,24H2,1-2H3,(H,25,39)(H,26,33)(H,34,35)(H,36,37)