Basic information
- CAS
92089-94-6- Standard SMILES
CC(=O)N[C@@H](CSCNc1ccc(C#N)cc1)C(=O)O- InChIKey
YBDZQNQPSNNEHQ-LBPRGKRZSA-N- Molecular formula
- C13H15N3O3S
- Average molar mass
- 293.34 g/mol
- Monoisotopic mass
- 293.08341252
Overview
metabolite of 4-cyano-N,N-dimethylaniline; structure given in first source
Names & identifiers
- Preferred name
- Acetyl-S-(4-cyanoanilinomethyl)cysteine
- IUPAC
- (2R)-2-acetamido-3-[(4-cyanoanilino)methylsulfanyl]propanoic acid
- English name
- acetyl-S-(4-cyanoanilinomethyl)cysteine
- Molecular weight
- 0
Names & synonyms
ACAMCAcetyl-S-(4-cyanoanilinomethyl)cysteine92089-94-6DTXSID30238854L-Cysteine, N-acetyl-S-(((4-cyanophenyl)amino)methyl)-, (3alpha,5beta,7alpha,12alpha)-RefChem:109093DTXCID80161345SCHEMBL31345293N-acetyl-S-(4-cyanoanilinomethyl)-cysteineN-Acetyl-S-[(4-cyanoanilino)methyl]-L-cysteine
Database identifiers
- CAS
92089-94-6- PubChem CID
- 146352
- DTXSID
DTXSID30238854
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 386
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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