Valacillin

Molecular Formula: C₂₁H₂₄ClN₃O₇S

InChI: InChI=1/C21H23N3O7S.ClH/c1-10-12(31-20(28)30-10)9-29-19(27)15-21(2,3)32-18-14(17(26)24(15)18)23-16(25)13(22)11-7-5-4-6-8-11;/h4-8,13-15,18H,9,22H2,1-3H3,(H,23,25);1H/t13-,14-,15+,18-;/m1./s1/fC21H24N3O7S.Cl/h23-24H;1h/q+1;-1

InChIKey: InChIKey=FXXSETTYJSGMCR-GGUVNQDDDN
SMILES: CC1=C(OC(=O)O1)COC(=O)C2C(SC3[NH+]2C(=O)C3NC(=O)C(C4=CC=CC=C4)N)(C)C.[Cl-]

Names:
    D01696
    Kbt 1585
    Lenampicillin hydrochloride (JP15)
    lenampicillin hydrochloride
    Valacillin (TN)
    Valacillin
    (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl (2R,5R,6S)-6-[[(2R)-2-amino-2-phenyl-acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azoniabicyclo[3.2.0]heptane-2-carboxylate chloride
    80734-02-7

Registries:
    PubChem CID 444026
    PubChem ID 7848759