Basic information
- Standard SMILES
CNC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C- InChIKey
HFOLVDYMTHSVOB-ZDUSSCGKSA-N- Molecular formula
- C17H24N2O5
- Average molar mass
- 336.4 g/mol
- Monoisotopic mass
- 336.16852187
Names & identifiers
- Preferred name
- Boc-Asp(OBzl)-NHMe
- IUPAC
- benzyl (3S)-4-(methylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate
Names & synonyms
Boc-Asp(OBzl)-NHMeSCHEMBL8432281HFOLVDYMTHSVOB-ZDUSSCGKSA-NPhenylmethyl N2-{[(1,1-dimethylethyl)oxy]carbonyl}-N1-methyl-L-alpha-asparaginate
Database identifiers
- PubChem CID
- 59516205
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 93.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 439
Related reactions
3 records
Compound notes
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