Basic information
- CAS
55739-16-7- Standard SMILES
CCOC(=O)C(C)NC(=O)C(NC(=O)OCc1ccccc1)C(C)C- InChIKey
ATQKPMIWKRREAT-UHFFFAOYSA-N- Molecular formula
- C18H26N2O5
- Average molar mass
- 350.4 g/mol
- Monoisotopic mass
- 350.18417193
Names & identifiers
- Preferred name
- Ethyl n-[(benzyloxy)carbonyl]valylalaninate
- IUPAC
- ethyl 2-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoate
Names & synonyms
55739-16-7ethyl n-[(benzyloxy)carbonyl]valylalaninateNSC89586DTXSID30293443NSC-89586
Database identifiers
- CAS
55739-16-7- PubChem CID
- 259573
- DTXSID
DTXSID30293443
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 93.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 447
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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