Basic information
- CAS
23701-30-6- Standard SMILES
CCOP(=S)(OCC)SCC(=O)NC(C)(CC)C(=O)O- InChIKey
KTXURXGAKPHLAH-UHFFFAOYSA-N- Molecular formula
- C11H22NO5PS2
- Average molar mass
- 343.4 g/mol
- Monoisotopic mass
- 343.06770215
Names & identifiers
- Preferred name
- Isovaline, N-(((diethoxyphosphinothioyl)thio)acetyl)-
- IUPAC
- 2-[(2-diethoxyphosphinothioylsulfanylacetyl)amino]-2-methylbutanoic acid
Names & synonyms
BRN 2391505N-(((Diethoxyphosphinothioyl)thio)acetyl)isovalineN-(Mercaptoacetyl)isovaline S-ester with O,O-diethylphosphorodithioate23701-30-6ISOVALINE, N-(((DIETHOXYPHOSPHINOTHIOYL)THIO)ACETYL)-Isovaline, N-(mercaptoacetyl)-, S-ester with O,O-diethyl phosphorodithioateRefChem:350193N-{[(diethoxyphosphorothioyl)thio]acetyl}isovalineCBMicro_004934MLS000530150CHEMBL1371097DTXSID10946506
Show more names
HMS2351K19SMSF0003414CB06947NCGC00245550-01SMR000135128BIM-0004937.P001SR-01000196003SR-01000196003-1
Database identifiers
- CAS
23701-30-6- PubChem CID
- 32044
- DTXSID
DTXSID10946506- ChEMBL
CHEMBL1371097- Nikkaji
- J68.864I
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 383
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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