Basic information
- CAS
14317-83-0- Standard SMILES
COC(=O)C(CC(C)C)NC(=O)C(CC(N)=O)NC(=O)OCc1ccccc1- InChIKey
HUBNAZBHTDOFGE-UHFFFAOYSA-N- Molecular formula
- C19H27N3O6
- Average molar mass
- 393.4 g/mol
- Monoisotopic mass
- 393.18998559
Names & identifiers
- Preferred name
- Methyl n2-[(benzyloxy)carbonyl]asparaginylleucinate
- IUPAC
- methyl 2-[[4-amino-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]-4-methylpentanoate
Names & synonyms
14317-83-0methyl n2-[(benzyloxy)carbonyl]asparaginylleucinateNSC111888DTXSID60296826NSC-111888Methyl N~2~-[(benzyloxy)carbonyl]asparaginylleucinate
Database identifiers
- CAS
14317-83-0- PubChem CID
- 270004
- DTXSID
DTXSID60296826
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 546
Related reactions
1 records
Compound notes
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