Molecular Identity
Penicillins
3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
PubChem CID: 2349
2D Structure
Properties
C16H18N2O4S
Molecular Formula
334.40
Molecular Weight
g/mol
334.0987
Exact Mass
Da
1.8
XLogP
Drug-like (Lipinski: < 5)
112
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
5
H-Bond Acceptors
530
Complexity
SMILES
Canonical SMILES
SMILES: CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)CIsomeric SMILES
SMILES: CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)CSynonyms(20)
CHEBI:17334penicillinsPenicillin AntibioticsAntibiotics, PenicillinRefChem:126139DTXSID501017130215-794-61406-05-9PenicillinCillin7005-30-3Benzopenicillin(5S)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acidBenzylpenicillin GFree benzylpenicillin
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Penicillins
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