Alanine, N-benzyloxycarbonyl-3-phenyl-, cyanomethyl ester, D-
Basic information
- CAS
64286-82-4- Standard SMILES
N#CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1- InChIKey
QDAFQGLLNQPQAT-QGZVFWFLSA-N- Molecular formula
- C19H18N2O4
- Average molar mass
- 338.4 g/mol
- Monoisotopic mass
- 338.12665706
Names & identifiers
- Preferred name
- Alanine, N-benzyloxycarbonyl-3-phenyl-, cyanomethyl ester, D-
- IUPAC
- cyanomethyl (2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
Names & synonyms
64286-82-4ALANINE, N-BENZYLOXYCARBONYL-3-PHENYL-, CYANOMETHYL ESTER, D-RefChem:1076305D-N-Benzyloxycarbonyl-3-phenylalanine cyanomethyl esterCHEMBL3275991
Database identifiers
- CAS
64286-82-4- PubChem CID
- 47330
- ChEMBL
CHEMBL3275991- Nikkaji
- J129.371K
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
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Compound notes
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