7-methoxy-8-oxidanylidene-3-[4-oxidanyl-4-oxidanylidene-1-(2H-1,2,3,4-tetrazol-5-ylsulfanyl)butyl]-7-[(2-oxidanyl-2-phenyl-ethanoyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-methoxy-8-oxidanylidene-3-[4-oxidanyl-4-oxidanylidene-1-(2H-1,2,3,4-tetrazol-5-ylsulfanyl)butyl]-7-[(2-oxidanyl-2-phenyl-ethanoyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-[4-hydroxy-4-oxo-1-(2H-tetrazol-5-ylsulfanyl)butyl]-7-[(2-hydroxy-2-phenyl-acetyl)amino]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[(2-hydroxy-1-oxo-2-phenylethyl)amino]-3-[4-hydroxy-4-oxo-1-(2H-tetrazol-5-ylthio)butyl]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-[4-hydroxy-4-oxo-1-(2H-tetrazol-5-ylsulfanyl)butyl]-7-[(2-hydroxy-2-phenylacetyl)amino]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-[4-hydroxy-4-keto-1-(2H-tetrazol-5-ylthio)butyl]-8-keto-7-(mandeloylamino)-7-methoxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C21H22N6O8S2 MolecularWeight: 550.56478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1(C2N(C1=O)C(=C(CS2)C(CCC(=O)O)SC3=NNN=N3)C(=O)O)NC(=O)C(C4=CC=CC=C4)O

Isomeric SMILES

COC1(C2N(C1=O)C(=C(CS2)C(CCC(=O)O)SC3=NNN=N3)C(=O)O)NC(=O)C(C4=CC=CC=C4)O

InChI

InChI=1S/C21H22N6O8S2/c1-35-21(22-16(31)15(30)10-5-3-2-4-6-10)18(34)27-14(17(32)33)11(9-36-19(21)27)12(7-8-13(28)29)37-20-23-25-26-24-20/h2-6,12,15,19,30H,7-9H2,1H3,(H,22,31)(H,28,29)(H,32,33)(H,23,24,25,26)