65277-79-4
L-3-(BENZYLTHIO)-N-HYDROCINNAMOYLALANINE POTASSIUM SALT
NameL-3-(BENZYLTHIO)-N-HYDROCINNAMOYLALANINE POTASSIUM SALT
FormulaC19 H20 N O3 S . K
1Identification
【Name】
L-3-(BENZYLTHIO)-N-HYDROCINNAMOYLALANINE POTASSIUM SALT
【CAS】
【MDL】
MFCD01674210
【English Synonyms】
【Formula】
C19 H20 N O3 S . K
【MolWeight】
381.535
【Inchi】
InChI=1S/C19H21NO3S.K/c21-18(12-11-15-7-3-1-4-8-15)20-17(19(22)23)14-24-13-16-9-5-2-6-10-16;/h1-10,17H,11-14H2,(H,20,21)(H,22,23);/q;+1/p-1/t17-;/m0./s1
【InChIKey】
InChIKey=KEIXBCURGPAIRV-LMOVPXPDSA-M
【SMILES】
c1ccc(cc1)CCC(=O)N[C@@H](CSCc2ccccc2)C(=O)[O-].[K+]
【MOL File】
L-3-(BENZYLTHIO)-N-H….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
L-3-(BENZYLTHIO)-N-HYDROCINNAMOYLALANINE POTASSIUM SALT.cml