N-((Phenylmethoxy)carbonyl)phenylalanine cyanomethyl ester
Basic information
- CAS
3338-35-0- Standard SMILES
N#CCOC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1- InChIKey
QDAFQGLLNQPQAT-UHFFFAOYSA-N- Molecular formula
- C19H18N2O4
- Average molar mass
- 338.4 g/mol
- Monoisotopic mass
- 338.12665706
Names & identifiers
- Preferred name
- N-((Phenylmethoxy)carbonyl)phenylalanine cyanomethyl ester
- IUPAC
- cyanomethyl 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
Names & synonyms
3338-35-0RefChem:1090738N-((Phenylmethoxy)carbonyl)phenylalanine cyanomethyl esterDL-N-Benzyloxycarbonyl-3-phenylalanine cyanomethyl esterD-N-Benzyloxycarbonyl-3-phenylalanine cyanomethyl esterALANINE, N-BENZYLOXYCARBONYL-3-PHENYL-, CYANOMETHYL ESTER, DL-CHEMBL3247324
Database identifiers
- CAS
3338-35-0- PubChem CID
- 18755
- ChEMBL
CHEMBL3247324
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 88.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 473
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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