(6R,7S)-3-(acetyloxymethyl)-7-[[(2R)-2-amino-2-phenyl-acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid dihydrate

Molecular Formula: C18H23N3O8S


InChI: InChI=1/C18H19N3O6S.2H2O/c1-9(22)27-7-11-8-28-17-13(16(24)21(17)14(11)18(25)26)20-15(23)12(19)10-5-3-2-4-6-10;;/h2-6,12-13,17H,7-8,19H2,1H3,(H,20,23)(H,25,26);2*1H2/t12-,13-,17-;;/m1../s1/f/h20,25H;;

InChIKey: InChIKey=KURFSUDYQUKEJZ-DQSCZCQLDQ
SMILES: CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)N)SC1)C(=O)O.O.O

Names:
    (6R,7S)-3-(acetyloxymethyl)-7-[[(2R)-2-amino-2-phenyl-acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid dihydrate

Registries:
    PubChem CID 166592
    PubChem ID 10256134