Glycine, N-(N-acetyl-S-(3,5-dichlorophenyl)-L-cysteinyl)-
Basic information
- CAS
86674-65-9- Standard SMILES
CC(=O)N[C@@H](CSc1cc(Cl)cc(Cl)c1)C(=O)NCC(=O)O- InChIKey
LWBVLVWVCZSJSM-NSHDSACASA-N- Molecular formula
- C13H14Cl2N2O4S
- Average molar mass
- 365.2 g/mol
- Monoisotopic mass
- 364.0051335
Names & identifiers
- Preferred name
- Glycine, N-(N-acetyl-S-(3,5-dichlorophenyl)-L-cysteinyl)-
- IUPAC
- 2-[[(2R)-2-acetamido-3-(3,5-dichlorophenyl)sulfanylpropanoyl]amino]acetic acid
Names & synonyms
86674-65-9DTXSID801007007Glycine, N-(N-acetyl-S-(3,5-dichlorophenyl)-L-cysteinyl)-N-{(2R)-3-[(3,5-Dichlorophenyl)sulfanyl]-1-hydroxy-2-[(1-hydroxyethylidene)amino]propylidene}glycineN-{3-[(3,5-Dichlorophenyl)sulfanyl]-1-hydroxy-2-[(1-hydroxyethylidene)amino]propylidene}glycine
Database identifiers
- CAS
86674-65-9- PubChem CID
- 186359
- DTXSID
DTXSID801007007
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 415
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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