Basic information
- Standard SMILES
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NCCC=O- InChIKey
IQCXLQXEXHSCOL-HNNXBMFYSA-N- Molecular formula
- C17H24N2O4
- Average molar mass
- 320.4 g/mol
Names & identifiers
- Preferred name
- [(1S)-3-methyl-1-(3-oxo-propylcarbamoyl)-butyl]-carbamic acid benzyl ester
- IUPAC
- benzyl N-[(2S)-4-methyl-1-oxo-1-(3-oxopropylamino)pentan-2-yl]carbamate
Names & synonyms
CHEMBL150257SCHEMBL6361583SCHEMBL7183327IQCXLQXEXHSCOL-HNNXBMFYSA-N[(1S)-3-methyl-1-(3-oxo-propylcarbamoyl)-butyl]-carbamic acid benzyl ester
Database identifiers
- PubChem CID
- 44366907
- ChEMBL
CHEMBL150257
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 379
Related reactions
2 records
Compound notes
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