Basic information
- CAS
2566-22-5- Standard SMILES
O=C(NC(Cc1ccccc1)C(=O)O)c1ccccc1- InChIKey
NPKISZUVEBESJI-UHFFFAOYSA-N- Molecular formula
- C16H15NO3
- Average molar mass
- 269.29 g/mol
- Monoisotopic mass
- 269.10519334
Overview
2-(benzoylamino)-3-phenylpropanoic acid is a member of the class of benzamides that is 3-phenylpropanoic acid in which one of the hydrogens at position 2 has been replaced by a benzoylamino group. It is a member of benzamides and a N-acyl-amino acid.
Names & identifiers
- Preferred name
- N-Benzoyl-DL-phenylalanine
- IUPAC
- 2-benzamido-3-phenylpropanoic acid
- English name
- BZ-PHE-OH
- Molecular formula
- C16H15NO3
- Molecular weight
- 269.3
Names & synonyms
2901-76-0N-Benzoyl-dl-phenylalanine3-phenyl-2-(phenylformamido)propanoic acidDTXSID301311364RefChem:829062CHEBI:90417DTXCID20893350636-715-5Benzoyl-dl-phenylalanine2-benzamido-3-phenylpropanoic acidBz-DL-Phe-OHN-Benzoylphenylalanine
Show more names
BZ-PHE-OHBZO-PHE-OHNSC 167264Bz-L-Phe-OHBENZOYL-PHE-OHBZ-PHENYLALANINEBZ-PHE-OH USP/EP/BPbenzoylphenylalanineBENZOYL-L-PHENYLALANINE
MFCD00037252Phenylalanine, N-benzoyl-N-Benzoylphenylalanine #2-(benzoylamino)-3-phenylpropanoic acidCHEBI:90419HMS1659K12HMS2288N06NSC96354
Database identifiers
- CAS
2566-22-5、2901-76-0、93059-41-7- PubChem CID
- 273362
- DTXSID
DTXSID301311364- ChEMBL
CHEMBL67572
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 331
Physicochemical properties
- Melting point
- 184 °C · 184 °C (decomp)
- Boiling point
- 532 · 532.0±43.0 °C(Predicted)
- Density
- 1.232 · 1.232±0.06 g/cm3(Predicted)
- RTECS
- 7326700 · SQ7326700
- storage temp.
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- pka
- 3.8 · 3.80±0.10(Predicted)
- form
- Powder
- color
- Off-white to white
- optical activity
- Consistent with structure
- CAS DataBase Reference
- 2566 · 2566-22-5(CAS DataBase Reference)
- FDA UNII
- 9 S304JL9M7 · 9S304JL9M7
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (97.5%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P273, P301+P316, P321, P330, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (97.5%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesN-Benzoyl-L-phenylalanine is used in the preparation of α-di/monoketo ester derivatives of n-protected amino acids as inhibitors of cysteine of serine proteinases, as well as calpain inhibitors.
Upstream & downstream products
Downstream products
Suppliers63 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
江苏生康迈翔科技有限公司18217475093 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
Related reactions
10 records
Compound notes
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