Basic information
- CAS
3005-61-6- Standard SMILES
COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1- InChIKey
BRQQPHKRRCUYLA-HNNXBMFYSA-N- Molecular formula
- C17H17NO3
- Average molar mass
- 283.32 g/mol
- Monoisotopic mass
- 283.1208434
Names & identifiers
- Preferred name
- L-Phenylalanine, N-benzoyl-, methyl ester
- IUPAC
- methyl (2S)-2-benzamido-3-phenylpropanoate
- English name
- N-benzoyl-L-phenylalanine methyl ester
- Molecular formula
- C17H17NO3
- Molecular weight
- 283.32
Names & synonyms
3005-61-6L-Phenylalanine, N-benzoyl-, methyl esterRefChem:1088251N-Benzoyl-L-Phenylalanine Methyl Estermethyl (2S)-2-benzamido-3-phenylpropanoateMETHYL (2S)-3-PHENYL-2-(PHENYLFORMAMIDO)PROPANOATEN-Benzoyl-L-PhenylalanineMethylEster(S)-methyl 2-benzamido-3-phenylpropanoateSCHEMBL1793176CHEMBL3278830BRQQPHKRRCUYLA-HNNXBMFYSA-Nbenzoyl-l-phenylalanine methyl ester
Show more names
methyl benzoyl-L-phenylalaninateMethyl N-benzoyl-L-phenylalaninateN-Benzoylphenylalanine methyl ester(S)-N-Benzoylphenylalanine methyl estermethyl (S)-2-(benzoylamino)-3-phenylpropanoateMethyl (2S)-2-(benzoylamino)-3-phenylpropanoate
MFCD17019317AKOS037645804AC-28401AS-63726DB-310446methyl (2S)-2-benzamido-3-phenyl-propanoate
Database identifiers
- CAS
3005-61-6
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 344
Physicochemical properties
- Melting point
- 83 · 83-85℃
- Density
- 1.161 · 1.161
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers24 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
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宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
上海御略医药科技有限公司021-60345187 13671753212 · [email protected]
广州市慈铭生物科技有限公司020-38082199,29065168,38082986,29878298,29866629,4000192398
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
Related reactions
1 records
Compound notes
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