Basic information
- CAS
42384-01-0- Standard SMILES
CCSCC[C@H](NC(C)=O)C(=O)O- InChIKey
BVCAPFTWLHLMJP-ZETCQYMHSA-N- Molecular formula
- C8H15NO3S
- Average molar mass
- 205.28 g/mol
- Monoisotopic mass
- 205.07726451
Names & identifiers
- Preferred name
- L-Homocysteine, N-acetyl-S-ethyl-
- IUPAC
- (2S)-2-acetamido-4-ethylsulfanylbutanoic acid
Names & synonyms
42384-01-0L-Homocysteine, N-acetyl-S-ethyl-n-acetylethionineSCHEMBL468743DTXSID70962449S-Ethyl-N-(1-hydroxyethylidene)homocysteineS-Ethyl-N-(1-hydroxyethylidene)-L-homocysteine
Database identifiers
- CAS
42384-01-0- PubChem CID
- 181735
- DTXSID
DTXSID70962449
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 91.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 184
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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