Basic information
- CAS
860-55-9- Standard SMILES
O=C(NC(Cc1ccccc1)C(=O)NC(CO)C(=O)O)OCc1ccccc1- InChIKey
CXVNVEDASVJQHE-UHFFFAOYSA-N- Molecular formula
- C20H22N2O6
- Average molar mass
- 386.4 g/mol
- Monoisotopic mass
- 386.14778643
Names & identifiers
- Preferred name
- N-[(Benzyloxy)carbonyl]phenylalanylserine
- IUPAC
- 3-hydroxy-2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid
- English name
- 3-hydroxy-2-[(3-phenyl-2-phenylmethoxycarbonylamino-propanoyl)amino]propanoic acid
- Molecular formula
- C20H22N2O6
- Molecular weight
- 386.4
Names & synonyms
860-55-9NSC334024N-[(Benzyloxy)carbonyl]phenylalanylserine3-hydroxy-2-[(3-phenyl-2-phenylmethoxycarbonylamino-propanoyl)amino]propanoic acidDTXSID10318683NSC-334024DS-0048752-[[2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-3-hydroxy-propanoic acidCARBOBENZYLOXY-L-PHENYLALANYL-L-SERINE
Database identifiers
- CAS
860-55-9- PubChem CID
- 333355
- DTXSID
DTXSID10318683- EC Number
- 105-847-0
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 515
Physicochemical properties
- Melting point
- 156 · 156-159 °C
- Boiling point
- 717.581 · 717.581±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.318 · 1.318±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 3.09 · 3.090±0.10(predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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