N-Acetyl-S-(2-hydroxyphenylethyl)-L-cysteine
Basic information
- CAS
152155-79-8- Standard SMILES
CC(=O)N[C@@H](CSCCc1ccccc1O)C(=O)O- InChIKey
VNJQKYBUNWVPHD-NSHDSACASA-N- Molecular formula
- C13H17NO4S
- Average molar mass
- 283.35 g/mol
- Monoisotopic mass
- 283.0878292
Names & identifiers
- Preferred name
- N-Acetyl-S-(2-hydroxyphenylethyl)-L-cysteine
- IUPAC
- (2R)-2-acetamido-3-[2-(2-hydroxyphenyl)ethylsulfanyl]propanoic acid
- English name
- (2R)-2-acetamido-3-[2-(2-hydroxyphenyl)ethylsulfanyl]propanoic acid
- Molecular formula
- C13H17NO4S
- Molecular weight
- 0
Names & synonyms
N-Acetyl-S-(2-hydroxyphenylethyl)-L-cysteine152155-79-8L-Cysteine, N-acetyl-S-(2-hydroxyphenylethyl)-(2R)-2-acetamido-3-[2-(2-hydroxyphenyl)ethylsulfanyl]propanoic acidDTXSID40934436N-(1-Hydroxyethylidene)-S-[2-(2-hydroxyphenyl)ethyl]cysteineN-(1-Hydroxyethylidene)-S-[2-(2-hydroxyphenyl)ethyl]-L-cysteine
Database identifiers
- CAS
152155-79-8- PubChem CID
- 3073748
- DTXSID
DTXSID40934436
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 311
Physicochemical properties
- Density
- 1.2763 · 1.2763 (rough estimate)
- refractive index
- 1.68 · 1.6800 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…