Basic information
- CAS
21285-27-8- Standard SMILES
CC(C)C(NC(=O)C1CCCN1C(=O)OCc1ccccc1)C(=O)O- InChIKey
RMPUPQMKXGKXSG-UHFFFAOYSA-N- Molecular formula
- C18H24N2O5
- Average molar mass
- 348.4 g/mol
- Monoisotopic mass
- 348.16852187
Names & identifiers
- Preferred name
- N-[{1-[(Benzyloxy)carbonyl]pyrrolidin-2-yl}(hydroxy)methylidene]valine
- IUPAC
- 3-methyl-2-[(1-phenylmethoxycarbonylpyrrolidine-2-carbonyl)amino]butanoic acid
Names & synonyms
NSC153411DTXSID50943791NSC-153411N-[{1-[(Benzyloxy)carbonyl]pyrrolidin-2-yl}(hydroxy)methylidene]valine
Database identifiers
- CAS
21285-27-8- PubChem CID
- 290298
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 95.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 488
Related reactions
1 records
Compound notes
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