N-Benzoyl-L-phenylalanine 2-naphthalenyl ester
Basic information
- CAS
15873-25-3- Standard SMILES
O=C(N[C@@H](Cc1ccccc1)C(=O)Oc1ccc2ccccc2c1)c1ccccc1- InChIKey
NPPKNSHRAVHLHD-DEOSSOPVSA-N- Molecular formula
- C26H21NO3
- Average molar mass
- 395.4 g/mol
- Monoisotopic mass
- 395.15214353
Names & identifiers
- Preferred name
- N-Benzoyl-L-phenylalanine 2-naphthalenyl ester
- IUPAC
- naphthalen-2-yl (2S)-2-benzamido-3-phenylpropanoate
- English name
- N-Benzoyl-DL-phenylalanine 2-naphthyl ester [for determination of chymotrypsin]
- Molecular formula
- C26H21NO3
- Molecular weight
- 395.45
Names & synonyms
N-Benzoyl-L-phenylalanine 2-naphthalenyl esterRefChem:36321015873-25-3naphthalen-2-yl (2S)-3-phenyl-2-(phenylformamido)propanoateL-Phenylalanine, N-benzoyl-, 2-naphthalenyl esterMFCD29050151naphthalen-2-yl (2S)-2-benzamido-3-phenylpropanoateSCHEMBL11329819DTXSID601248299AKOS037646313benzoyl-3-phenylalanine 2-naphthyl esterAS-68081
Show more names
fordeterminationofchymotrypsinBenzoylphenylalaninenaphtylester2-Naphthyl N-benzoylphenylalaninateN-Benzoyl-DL-phenylalanine 2-Naphtyl esterN-benzoyl-L-phenylalanine β-naphthyl esterNaphthalen-2-yl 2-benzamido-3-phenylpropanoate2-NaphthylN-benzoylphenylalaninate/2-NaphthylN-benzoyl-L-phenylalaninateN-Benzoyl-DL-phenylalanine 2-naphthyl ester [for determination of chymotrypsin]
Naphthalen-2-yl N-benzoyl-L-phenylalaninateNS00048615D952652-naphthyl (2S)-2-benzamido-3-phenyl-propanoateF818043
Database identifiers
- CAS
15873-25-3- PubChem CID
- 989347
- DTXSID
DTXSID601248299- Nikkaji
- J231.989F
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 565
Physicochemical properties
- Melting point
- 158 °C · 158 °C
- Boiling point
- 656.6 · 656.6±55.0 °C(Predicted)
- Density
- 1.222 · 1.222±0.06 g/cm3(Predicted)
- solubility
- almost transparency in hot Methanol
- form
- powder to crystal
- pka
- 12.96 · 12.96±0.46(Predicted)
- color
- White to Almost white
- HS Code
- 2924.29 · 2924.29.7790
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2924.29.7790
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Compound notes
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