Basic information
- CAS
25635-80-7- Standard SMILES
NC(CSCCC(=O)O)C(=O)O- InChIKey
FBPINGSGHKXIQA-UHFFFAOYSA-N- Molecular formula
- C6H11NO4S
- Average molar mass
- 193.22 g/mol
- Monoisotopic mass
- 193.04087901
Overview
S-carboxyethylcysteine is a cysteine derivative.
Names & identifiers
- Preferred name
- Alanine, 3-((2-carboxyethyl)thio)-
- IUPAC
- 2-amino-3-(2-carboxyethylsulfanyl)propanoic acid
Names & synonyms
25635-80-7S-carboxyethylcysteineALANINE, 3-((2-CARBOXYETHYL)THIO)-2-amino-3-(2-carboxyethylsulfanyl)propanoic acidNSC45843Cysteine,s-(2-carboxyethyl)-MEGxp0_001910SCHEMBL1867971CHEBI:232961NSC-45843DS-002519NS00030762
Show more names
2-amino-3-(2-carboxyethylthio)propanoic acid
Database identifiers
- CAS
25635-80-7- PubChem CID
- 19945
- ChEBI
CHEBI:232961
Properties
Computed structural properties
- XLogP
- -3.2
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 173
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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