7a-Hydroxy-o-carbamoyl-deacetylcephalosporin C

Molecular Formula: C₁₅H₂₀N₄O₉S

InChI: InChI=1/C15H20N4O9S/c16-7(10(21)22)2-1-3-8(20)18-15(27)12(25)19-9(11(23)24)6(4-28-14(17)26)5-29-13(15)19/h7,13,27H,1-5,16H2,(H2,17,26)(H,18,20)(H,21,22)(H,23,24)/t7-,13-,15+/m1/s1/f/h18,21,23H,17H2

InChIKey: InChIKey=JMCGENBWRIPSAH-PSDLZKKLDP
SMILES: C1C(=C(N2C(S1)C(C2=O)(NC(=O)CCCC(C(=O)O)N)O)C(=O)O)COC(=O)N

Names:
    C06569
    (6R,7R)-7-[[(5R)-5-amino-5-carboxy-pentanoyl]amino]-3-(carbamoyloxymethyl)-7-hydroxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
    7a-Hydroxy-o-carbamoyl-deacetylcephalosporin C

Registries:
    PubChem CID 441085
    PubChem ID 8798