5361-91-1
Z-L-LYSINE BENZYL ESTER 4-TOLUENESULFONATE SALT
NameZ-L-LYSINE BENZYL ESTER 4-TOLUENESULFONATE SALT
FormulaC21 H26 N2 O4 . C7 H8 O3 S
1Identification
【Name】
Z-L-LYSINE BENZYL ESTER 4-TOLUENESULFONATE SALT
【CAS】
【MDL】
MFCD00191128
【English Synonyms】
【Formula】
C21 H26 N2 O4 . C7 H8 O3 S
【MolWeight】
542.65
【Inchi】
InChI=1S/C21H26N2O4.C7H8O3S/c22-14-8-7-13-19(20(24)26-15-17-9-3-1-4-10-17)23-21(25)27-16-18-11-5-2-6-12-18;1-6-2-4-7(5-3-6)11(8,9)10/h1-6,9-12,19H,7-8,13-16,22H2,(H,23,25);2-5H,1H3,(H,8,9,10)/t19-;/m0./s1
【InChIKey】
InChIKey=PERBHXHGFSEBTK-FYZYNONXSA-N
【SMILES】
Cc1ccc(cc1)S(=O)(=O)O.c1ccc(cc1)COC(=O)[C@H](CCCCN)NC(=O)OCc2ccccc2
【MOL File】
Z-L-LYSINE BENZYL ES….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
Z-L-LYSINE BENZYL ESTER 4-TOLUENESULFONATE SALT.cml