7-[[2-[4-[(2-azanyl-3-oxidanyl-3-oxidanylidene-propoxy)carbonylamino]phenyl]-2-oxidanyl-ethanoyl]amino]-3-[[1-(carboxymethyl)-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]-3-[[1-(carboxymethyl)-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]-3-[[1-(carboxymethyl)tetrazol-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]-3-[[[1-(carboxymethyl)-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]-3-[[1-(carboxymethyl)tetrazol-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]-3-[[[1-(carboxymethyl)tetrazol-5-yl]thio]methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C23H24N8O11S2 MolecularWeight: 652.61366

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=C(C=C3)NC(=O)OCC(C(=O)O)N)O)C(=O)O)CSC4=NN=NN4CC(=O)O

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=C(C=C3)NC(=O)OCC(C(=O)O)N)O)C(=O)O)CSC4=NN=NN4CC(=O)O

InChI

InChI=1S/C23H24N8O11S2/c24-12(20(37)38)6-42-23(41)25-11-3-1-9(2-4-11)16(34)17(35)26-14-18(36)31-15(21(39)40)10(7-43-19(14)31)8-44-22-27-28-29-30(22)5-13(32)33/h1-4,12,14,16,19,34H,5-8,24H2,(H,25,41)(H,26,35)(H,32,33)(H,37,38)(H,39,40)