Basic information
- CAS
1194864-16-8- Standard SMILES
CS(=O)(=O)c1cccc(C[C@H](N)C(=O)OCc2ccccc2)c1- InChIKey
NAHLQFJKVQKZSA-INIZCTEOSA-N- Molecular formula
- C17H19NO4S
- Average molar mass
- 333.4 g/mol
- Monoisotopic mass
- 333.10347926
Names & identifiers
- Preferred name
- benzyl (S)-2-amino-3-(3-(methylsulfonyl)phenyl)propanoate
- IUPAC
- benzyl (2S)-2-amino-3-(3-methylsulfonylphenyl)propanoate
- English name
- benzyl (S)-2-amino-3-(3-(methylsulfonyl)phenyl)propanoate
- Molecular formula
- C17H19NO4S
- Molecular weight
- 333.4
Names & synonyms
benzyl (S)-2-amino-3-(3-(methylsulfonyl)phenyl)propanoate1194864-16-8(S)-Benzyl 2-amino-3-(3-(methylsulfonyl)phenyl)propanoateYD8D2C6X6JSCHEMBL4546544AC-32535DB-1868843-(Methylsulfonyl)-L-phenylalanine phenylmethyl esterL-Phenylalanine, 3-(methylsulfonyl)-, phenylmethyl ester
Database identifiers
- CAS
1194864-16-8- PubChem CID
- 44514643
- UNII
- YD8D2C6X6J
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 94.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 479
Physicochemical properties
- Boiling point
- 528.3 · 528.3±50.0 °C(Predicted)
- Density
- 1.256 · 1.256±0.06 g/cm3(Predicted)
- pka
- 6.59 · 6.59±0.33(Predicted)
- FDA UNII
- 8 D2C6X6J · YD8D2C6X6J
Chemistry & industry
Suppliers8 total
泰州同新生物医药科技有限公司0523-86818997 18652728585 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
西安宇特邦医药科技有限公司029-84536388 18717328141 · [email protected]
西安宇特邦医药科技有限公司029-84536388 19991842844 · [email protected]
苏州诺行贸易有限公司0512-65816829 18662214788 · [email protected]
滨海吉尔多肽有限公司021-61263389 13524856427 · [email protected]
西安宇特邦医药科技有限公司029-81140587 · [email protected]
广州市震霖医药科技有限公司020-18102736 13622807357 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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