Basic information
- CAS
161710-20-9- Standard SMILES
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC=O- InChIKey
GJTCUBHNFOWIPU-AWEZNQCLSA-N- Molecular formula
- C16H22N2O4
- Average molar mass
- 306.36 g/mol
- Monoisotopic mass
- 306.15795719
Names & identifiers
- Preferred name
- [(S)-3-Methyl-1-(2-oxo-ethylcarbamoyl)-butyl]-carbamic acid benzyl ester
- IUPAC
- benzyl N-[(2S)-4-methyl-1-oxo-1-(2-oxoethylamino)pentan-2-yl]carbamate
Names & synonyms
CHEMBL151827SCHEMBL14341684DTXSID301123963BDBM50291184[(S)-3-Methyl-1-(2-oxo-ethylcarbamoyl)-butyl]-carbamic acid benzyl ester161710-20-9N~2~-[(Benzyloxy)carbonyl]-N-(2-oxoethyl)-L-leucinamideCarbamic acid, [(1S)-3-methyl-1-[[(2-oxoethyl)amino]carbonyl]butyl]-, phenylmethyl ester
Database identifiers
- CAS
161710-20-9- PubChem CID
- 44367145
- DTXSID
DTXSID301123963- ChEMBL
CHEMBL151827
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 365
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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