Cyanomethyl N-(4-methylbenzene-1-sulfonyl)phenylalaninate
Completing data — refresh the page later to see the latest
Basic information
- CAS
64187-44-6- Standard SMILES
Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)OCC#N)cc1- InChIKey
VUEMVRRTXLPPPX-KRWDZBQOSA-N- Molecular formula
- C18H18N2O4S
- Average molar mass
- 358.4 g/mol
- Monoisotopic mass
- 358.09872823
Names & identifiers
- Preferred name
- Cyanomethyl N-(4-methylbenzene-1-sulfonyl)phenylalaninate
- IUPAC
- cyanomethyl (2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoate
- English name
- N-(p-Tolylsulfonyl)-L-phenylalanine cyanomethyl ester
- Molecular formula
- C18H18N2O4S
- Molecular weight
- 358.41
Names & synonyms
64187-44-6DTXSID70982723Cyanomethyl N-(4-methylbenzene-1-sulfonyl)phenylalaninateRefChem:1082385DTXCID901409983BRN 2784884L-3-Phenyl-N-(p-tolylsulfonyl)alanine cyanomethyl esterALANINE, 3-PHENYL-N-(p-TOLYLSULFONYL)-, CYANOMETHYL ESTER, L-N-(p-Tolylsulfonyl)-L-phenylalanine cyanomethyl esterCHEMBL3247320DB-320548Cyanomethyl N-(4-methylbenzene-1-sulfonyl)-L-phenylalaninate
Show more names
L-Phenylalanine, N-[(4-methylphenyl)sulfonyl]-, cyanomethyl ester
Database identifiers
- CAS
64187-44-6- PubChem CID
- 47312
- DTXSID
DTXSID70982723- ChEMBL
CHEMBL3247320- Nikkaji
- J74.993A
Properties
Computed structural propertiesFilling in
- XLogP
- 3
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 576
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…