Hypericum
(2S,5R,6R)-6-formamido-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Molecular Identity
Hypericum
(2S,5R,6R)-6-formamido-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
PubChem CID: 9548591
6-formamidopenicillanic acid is a penicillanic acid having a (6R)-formamido substituent. It is functionally related to a 6-aminopenicillanic acid. It is a conjugate acid of a 6-formamidopenicillanate.
2D Structure
Properties
C9H12N2O4S
Molecular Formula
244.27
Molecular Weight
g/mol
244.0518
Exact Mass
Da
0.5
XLogP
Drug-like (Lipinski: < 5)
112
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
5
H-Bond Acceptors
371
Complexity
SMILES
Canonical SMILES
SMILES: CC1(C(N2C(S1)C(C2=O)NC=O)C(=O)O)CIsomeric SMILES
SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC=O)C(=O)O)CSynonyms(20)
HypericumHypericumsHYPERICUM [MI]RefChem:7896016-formamidopenicillanic acid64527-04-4CTK2F8101(2S,5R,6R)-6-formamido-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acidCHEBI:59004PAB 141141a/2AHIS-12016-formamido-2,2-dimethylpenam-3alpha-carboxylic acid2TC14ZH3A5(2S,5R,6R)-6-Formamido-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid
Data from PubChem (NCBI)
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