Basic information
- CAS
57177-83-0- Standard SMILES
COC(=O)C(N)Cc1ccc(OCc2ccccc2)cc1- InChIKey
IUXVIPGPIFGSEU-UHFFFAOYSA-N- Molecular formula
- C17H19NO3
- Average molar mass
- 285.34 g/mol
Names & identifiers
- Preferred name
- Methyl 2-amino-3-(4-phenylmethoxyphenyl)propanoate
- IUPAC
- methyl 2-amino-3-(4-phenylmethoxyphenyl)propanoate
- English name
- L-Tyrosine,O-(phenylmethyl)-, methyl ester
- Molecular formula
- C17H19NO3
- Molecular weight
- 285.34
Names & synonyms
Methyl O-benzyltyrosinatemethyl 2-amino-3-(4-phenylmethoxyphenyl)propanoateSCHEMBL7921142DTXSID10314125DTXSID201287017O-Benzyl-DL-tyrosine Methyl EsterNSC280761O-(Phenylmethyl)tyrosine methyl esterAKOS010553559NSC-280761908066-33-1SY524777
Show more names
methyl2-amino-3-(4-phenylmethoxyphenyl)propanoatemethyl (2S)-2-amino-3-[4-(benzyloxy)phenyl]propanoate
DS-002508L-tyrosine,o-(phenylmethyl)-, methyl ester
Database identifiers
- CAS
57177-83-0、908066-33-1- PubChem CID
- 322669
- DTXSID
DTXSID10314125- Nikkaji
- J2.268.916I
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 61.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 307
Physicochemical properties
- Melting point
- 158 · 158-160 °C
- Boiling point
- 420.042 · 420.042±35.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.153 · 1.153±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 7.279 · 7.279±0.33(predicted)
Chemistry & industry
Suppliers4 total
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海吉尔多肽有限公司+86-21-61263310 13764994101 · [email protected]
四川嘉瑛莱科技有限责任公司028-64159575 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
Related reactions
5 records
Compound notes
Loading…