Substance
  • Substance Name: 6-aminopenicillanic acid
  • Formula: C8H12N2O3S
  • Molecular Weight: 216.26 g/mol
  • Identifiers:
    • casrn: 551-16-6
    • pubchemId: 11082
    • iupacname: (2S,5R,6R)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
    • inchi: InChI=1S/C8H12N2O3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,9H2,1-2H3,(H,12,13)/t3-,4+,6-/m1/s1
    • inchikey: NGHVIOIJCVXTGV-ALEPSDHESA-N
    • csmiles: CC1(C(N2C(S1)C(C2=O)N)C(=O)O)C
    • ismiles: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)N)C(=O)O)C
    • wikidataId: Q106345604
6-aminopenicillanic acid
Systems and Datasets