S-((Acetylamino)methyl)-D-cysteine
Basic information
- CAS
160348-00-5- Standard SMILES
CC(=O)NCSC[C@@H](N)C(=O)O- InChIKey
QFQYGJMNIDGZSG-RXMQYKEDSA-N- Molecular formula
- C6H12N2O3S
- Average molar mass
- 192.24 g/mol
- Monoisotopic mass
- 192.05686342
Names & identifiers
- Preferred name
- S-((Acetylamino)methyl)-D-cysteine
- IUPAC
- (2S)-3-(acetamidomethylsulfanyl)-2-aminopropanoic acid
Names & synonyms
S-((Acetylamino)methyl)-D-cysteine31UUO6GT3Y160348-00-5S-(Acetamidomethyl)cysteine, D-UNII-31UUO6GT3YD-Cysteine, S-((acetylamino)methyl)-(2S)-3-(acetamidomethylsulfanyl)-2-aminopropanoic acidAlanine, 3-((acetamidomethyl)thio)-, D-S-(Acetamidomethyl)-D-cysteineSCHEMBL3928876F300311
Database identifiers
- CAS
160348-00-5- PubChem CID
- 6997643
- UNII
- 31UUO6GT3Y
Properties
Computed structural properties
- XLogP
- -3.3
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 174
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Compound notes
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