6-aminopenicillanic Acid
6-aminopenicillanic synonyms
4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-amino-3,3-dimethyl-7-oxo-, (2S,6R)-; rel-(2R,6S)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; 6-Aps; 6-AMINOPENICILLANIC ACID; 6-APA; 6-amino-2,2-dimethylpenam-3alpha-carboxylic acid; 6-Aminopenicillanate; Penin; (+)-6-Aminopenicillanic acid; (2S,5R,6R)-6-Amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptan-2-carbonsaeure; 6-Aminopenicillanic acid
Graphical representations:
View large 3D structure
Molecular Formula: C8H12N2O3S
Natural Isotopic Abundance Mass: 216.25748
Mono-Isotopic Molecular Masses:
- C12N14: 216.0568629519
- C13N14: 224.0837016543
- C12N15: 218.0509327383
- C13N15: 226.0777714407
InChI string: 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
PubChem Compound (CID): 11082CAS Registry number: 1203-85-6 551-16-6
ChemIDplus: 000551166
ChEBI: CHEBI:16705
ChemSpider: 10611
DiscoveryGate: 11082
EINECS: 208-993-4
KEGG Compound ID: C02954
NMRShiftDB: 10022987
Sigma-Aldrich: 09070_FLUKA
PDB Compound ID: X1E
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)