Basic information
- CAS
73175-09-4- Standard SMILES
CCOC(=O)[C@H](NC(=O)CSP(=S)(OCC)OCC)C(C)C- InChIKey
OTIKYPMTUNVZLW-GFCCVEGCSA-N- Molecular formula
- C13H26NO5PS2
- Average molar mass
- 371.5 g/mol
- Monoisotopic mass
- 371.09900227
Names & identifiers
- Preferred name
- Valine, N-(mercaptoacetyl)-, ethyl ester, S-ester with O,O-diethyl phosphorodithioate, D-
- IUPAC
- ethyl (2R)-2-[(2-diethoxyphosphinothioylsulfanylacetyl)amino]-3-methylbutanoate
Names & synonyms
Valine, N-(mercaptoacetyl)-, ethyl ester, S-ester with O,O-diethyl phosphorodithioate, D-73175-09-4DTXSID10223425D-Valine, N-(((diethoxyphosphinothioyl)thio)acetyl)-, ethyl esterBRN 2393005(S)-N-(Mercaptoacetyl)valine ethyl ester S-ester with O,O-diethyl phosphorodithioateRefChem:388321DTXCID10145916Ethyl N-{[(diethoxyphosphorothioyl)sulfanyl]acetyl}-D-valinate
Database identifiers
- CAS
73175-09-4- PubChem CID
- 198544
- DTXSID
DTXSID10223425
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 396
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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