Basic information
- CAS
83148-65-6- Standard SMILES
C[C@H](CC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)O- InChIKey
YIMJMPFFIWOIDL-QMMLZNLJSA-N- Molecular formula
- C25H28N2O5
- Average molar mass
- 436.5 g/mol
- Monoisotopic mass
- 436.199822
Names & identifiers
- Preferred name
- 5-Benzamido-2-methyl-4-oxo-6-phenylhexanoylproline
- IUPAC
- (2S)-1-[(2R,5S)-5-benzamido-2-methyl-4-oxo-6-phenylhexanoyl]pyrrolidine-2-carboxylic acid
- English name
- 5-benzamido-2-methyl-4-oxo-6-phenylhexanoylproline
- Molecular formula
- C25H28N2O5
- Molecular weight
- 436.5
Names & synonyms
5-Bmopp5-Benzamido-2-methyl-4-oxo-6-phenylhexanoylprolineL-Proline, 1-(5-(benzoylamino)-2-methyl-1,4-dioxo-6-phenylhexyl)-, (S-(R*,S*))-RefChem:10204383148-65-6CHEMBL95564DTXSID501003163BDBM501464285(S)-Benzamido-2(R)-methyl-4-oxo-6-phenylhexanoyl-L-proline1-(5-{[Hydroxy(phenyl)methylidene]amino}-2-methyl-4-oxo-6-phenylhexanoyl)proline(S)-1-((1R,5S)-5-Benzoylamino-2-methyl-4-oxo-6-phenyl-hexanoyl)-pyrrolidine-2-carboxylic acid1-[(2R,5S)-5-{[Hydroxy(phenyl)methylidene]amino}-2-methyl-4-oxo-6-phenylhexanoyl]-L-proline
Database identifiers
- CAS
83148-65-6- PubChem CID
- 134166
- DTXSID
DTXSID501003163- ChEMBL
CHEMBL95564- Nikkaji
- J2.282.863K
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 682
Physicochemical properties
- Boiling point
- 732.285 · 732.285±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.25 · 1.250±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 3.578 · 3.578±0.20(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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