Basic information
- Standard SMILES
CO[C@H]1C(=O)N(C(Cl)C(=O)OCc2ccc([N+](=O)[O-])cc2)[C@@H]1SC(=S)SCCNC(=O)OCc1ccc([N+](=O)[O-])cc1- InChIKey
VFPNVNRKCBNMSA-OWJBEEKMSA-N- Molecular formula
- C24H23ClN4O10S3
- Average molar mass
- 659.1 g/mol
Names & identifiers
- Preferred name
- 2-[(3S,4R)-4-(2-p-nitrobenzyloxycarbonylaminoethylthiothiocarbonylthio)-3-methoxy-2-oxoazetidin-1-yl]-2-chloroacetic acid p-nitrobenzyl ester
- IUPAC
- (4-nitrophenyl)methyl 2-chloro-2-[(2R,3S)-3-methoxy-2-[2-[(4-nitrophenyl)methoxycarbonylamino]ethylsulfanylcarbothioylsulfanyl]-4-oxoazetidin-1-yl]acetate
Names & synonyms
SCHEMBL10748227VFPNVNRKCBNMSA-OWJBEEKMSA-N2-[(3S,4R)-4-(2-p-nitrobenzyloxycarbonylaminoethylthiothiocarbonylthio)-3-methoxy-2-oxoazetidin-1-yl]-2-chloroacetic acid p-nitrobenzyl ester2-[(3S,4R)-4-(2-p-nitrobenzyloxycarbonylaninoethylthiothiocarbonylthio)-3-methoxy-2-oxoazetidin-1-yl]-2-chloroacetic acid p-nitrobenzyl ester
Database identifiers
- PubChem CID
- 57056523
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 269 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 15
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 1,000
Related reactions
2 records
Compound notes
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