Basic information
- CAS
19700-59-5- Standard SMILES
CCOC(=O)[C@H](CC(C)C)NC(=O)CSP(=S)(OCC)OCC- InChIKey
XUHRQKPXQQCSSY-LBPRGKRZSA-N- Molecular formula
- C14H28NO5PS2
- Average molar mass
- 385.5 g/mol
- Monoisotopic mass
- 385.11465234
Names & identifiers
- Preferred name
- Leucine, N-(((diethoxyphosphinothioyl)thio)acetyl)-, ethyl ester
- IUPAC
- ethyl (2S)-2-[(2-diethoxyphosphinothioylsulfanylacetyl)amino]-4-methylpentanoate
- English name
- N-(Mercaptoacetyl)leucine ethyl ester S-ester with O,O-diethylphosphor odithioate
- Molecular formula
- C14H28NO5PS2
- Molecular weight
- 385.48
Names & synonyms
19700-59-5N-(((Diethoxyphosphinothioyl)thio)acetyl)leucine ethyl esterBRN 2395171N-(Mercaptoacetyl)leucine ethyl ester S-ester with O,O-diethylphosphorodithioateLeucine, N-(((diethoxyphosphinothioyl)thio)acetyl)-, ethyl esterLeucine, N-(mercaptoacetyl)-, ethyl ester, S-ester with O,O-diethyl phosphorodithioateRefChem:351128ethyl (2S)-2-[(2-diethoxyphosphinothioylsulfanylacetyl)amino]-4-methylpentanoateDTXSID50941459N-(Mercaptoacetyl)leucine ethyl ester S-ester with O,O-diethylphosphor odithioate[(Diethoxyphosphorothioyl)sulfanyl]-N-[(2S)-1-ethoxy-4-methyl-1-oxopentan-2-yl]ethanimidic acid2-[(Diethoxyphosphorothioyl)sulfanyl]-N-(1-ethoxy-4-methyl-1-oxopentan-2-yl)ethanimidic acid
Show more names
L-Leucine, N-[[(diethoxyphosphinothioyl)thio]acetyl]-, ethyl ester (9CI)N-(Mercaptoacetyl)Leucine Ethyl Ester S-Ester- O,O-Diethylphosphor Odithioate
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 13
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 410
Physicochemical properties
- Density
- 1.173 · 1.173±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.682 · 12.682±0.46(predicted)
Chemistry & industry
Suppliers1 total
江苏洪珉药业有限公司18221292452 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…