Desthiobenzylpenicillin
Basic information
- CAS
4425-26-7- Standard SMILES
CC(C)[C@H](C(=O)O)N1C[C@H](NC(=O)Cc2ccccc2)C1=O- InChIKey
FZGPEVZHDQGHEP-GXTWGEPZSA-N- Molecular formula
- C16H20N2O4
- Average molar mass
- 304.34 g/mol
- Monoisotopic mass
- 304.14230712
Overview
RN given refers to (R-(R*,S*))-isomer; structure given in first source
Names & identifiers
- Preferred name
- Desthiobenzylpenicillin
- IUPAC
- (2R)-3-methyl-2-[(3S)-2-oxo-3-[(2-phenylacetyl)amino]azetidin-1-yl]butanoic acid
- English name
- desthiobenzylpenicillin
- Molecular formula
- C16H20N2O4
- Molecular weight
- 304.341
Names & synonyms
DesthiobenzylpenicillinDethiobenzylpenicillin4425-26-7DTXSID001960781-Azetidineacetic acid, alpha-(1-methylethyl)-2-oxo-3-((phenylacetyl)amino)-, (R-(R*,S*))-RefChem:132308DTXCID10118569(2R)-3-METHYL-2-[(3S)-2-OXO-3-(2-PHENYLACETAMIDO)AZETIDIN-1-YL]BUTANOIC ACID
Database identifiers
- CAS
4425-26-7- PubChem CID
- 193389
- DTXSID
DTXSID00196078
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 443
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Related reactions
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Compound notes
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