Basic information
- Standard SMILES
CCOP(=O)(CCCCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)OCc1ccccc1- InChIKey
NLOSSHRBTRWIJQ-LDYAZBONSA-N- Molecular formula
- C27H37N2O5P
- Average molar mass
- 500.6 g/mol
- Monoisotopic mass
- 500.24400928
Names & identifiers
- Preferred name
- 1-[N-[ethoxy(4-phenylbutyl)phosphinyl]-L-alanyl]-L-proline, phenylmethyl ester
- IUPAC
- benzyl (2S)-1-[(2S)-2-[[ethoxy(4-phenylbutyl)phosphoryl]amino]propanoyl]pyrrolidine-2-carboxylate
Names & synonyms
NLOSSHRBTRWIJQ-LDYAZBONSA-N1-[N-[ethoxy(4-phenylbutyl)phosphinyl]-L-alanyl]-L-proline, phenylmethyl ester
Database identifiers
- PubChem CID
- 131713402
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 14
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 706
Related reactions
1 records
Compound notes
Loading…