(7R)-7-{[(2R)-2-Amino-2-(²H₅)phenylacetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid hydrate (1:1)

More details:

• Systematic name

  (7R)-7-{[(2R)-2-Amino-2-(~2~H_5_)phenylacetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid hydrate (1:1)

• SMILES

  CC1=C(C(=O)O)N2C(=O)[C@H](C2SC1)N=C([C@@H](C3=C([2H])C([2H])=C([2H])C([2H])=C3[2H])N)O.O [2H]c1c(c(c(c(c1[2H])[2H])[C@H](C(=O)N[C@H]2C3N(C2=O)C(=C(CS3)C)C(=O)O)N)[2H])[2H].O

• Std. InChi

  InChI=1S/C16H17N3O4S.H2O/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9;/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23);1H2/t10-,11-,15?;/m1./s1/i2D,3D,4D,5D,6D;

• Std. InChIKey

  AVGYWQBCYZHHPN-ZBNNOUJASA-N

• Cite this record

  CSID:58781573, http://www.chemspider.com/Chemical-Structure.58781573.html (accessed 08:52, Jun 26, 2024)