Basic information
- CAS
51806-95-2- Standard SMILES
CC(C#N)N[C@@H](CCC(N)=O)C(=O)O- InChIKey
FAQAZBKSKXWMNA-GDVGLLTNSA-N- Molecular formula
- C8H13N3O3
- Average molar mass
- 199.21 g/mol
- Monoisotopic mass
- 199.09569129
Overview
glutamyl transpeptidase inhibitor
Names & identifiers
- Preferred name
- gamma-Glutamyl-alpha-alanylnitrile
- IUPAC
- (2S)-5-amino-2-(1-cyanoethylamino)-5-oxopentanoic acid
- English name
- α-(N-γ-DL-Glutamyl)aminopropionitrile
- Molecular formula
- C8H13N3O3
- Molecular weight
- 199.21
Names & synonyms
L-Glutamine, N-(1-cyanoethyl)-gamma-Glutamyl-alpha-alanylnitrile51806-95-2Gamma-Glu-alpha-Ala-nitrileRefChem:922043BRN 17124404-04-00-03041 (Beilstein Handbook Reference)gamma-L-Glutamylalanylnitrilegamma-DL-GlutamylalanylnitrileGlutamine, N-(1-cyanoethyl)-, DL-Glutamine, N-(1-cyanoethyl)-, L-51806-96-3
Show more names
Glutamine, N-(1-cyanoethyl)-α-(N-γ-DL-Glutamyl)aminopropionitrile
(2S)-5-amino-2-(1-cyanoethylamino)-5-oxopentanoic acidDTXSID20966134N-(1-Cyanoethyl)-5-hydroxy-5-iminonorvalineN-(1-Cyanoethyl)-5-hydroxy-5-imino-L-norvaline
Database identifiers
- CAS
51806-95-2、51806-96-3- PubChem CID
- 198271
- DTXSID
DTXSID20966134
Properties
Computed structural properties
- XLogP
- -3.5
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 268
Physicochemical properties
- Boiling point
- 513.288 · 513.288±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.253 · 1.253±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 2.21 · 2.210±0.10(predicted)
- EWG's Food Scores
- 1 · 1
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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