DL-Phenylalanine, N-(3-oxo-3-(4-propoxyphenyl)propyl)-
Basic information
- CAS
85975-28-6- Standard SMILES
CCCOc1ccc(C(=O)CCN[C@@H](Cc2ccccc2)C(=O)O)cc1- InChIKey
GUFCNFQKKPMNMS-IBGZPJMESA-N- Molecular formula
- C21H25NO4
- Average molar mass
- 355.4 g/mol
- Monoisotopic mass
- 355.17835828
Names & identifiers
- Preferred name
- DL-Phenylalanine, N-(3-oxo-3-(4-propoxyphenyl)propyl)-
- IUPAC
- (2S)-2-[[3-oxo-3-(4-propoxyphenyl)propyl]amino]-3-phenylpropanoic acid
Names & synonyms
BRN 5303095DL-Phenylalanine, N-(3-oxo-3-(4-propoxyphenyl)propyl)-N-(3-Oxo-3-(4-propoxyphenyl)propyl)-DL-phenylalanine85975-28-6DTXSID60235311RefChem:339311DTXCID60157802N-[3-Oxo-3-(4-propoxyphenyl)propyl]-L-phenylalanine
Database identifiers
- CAS
85975-28-6- PubChem CID
- 3070187
- DTXSID
DTXSID60235311
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 426
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Compound notes
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