5657-26-1
PTH-EPSILON-PHENYLTHIOCARBAMYL-DL-LYSINE
NamePTH-EPSILON-PHENYLTHIOCARBAMYL-DL-LYSINE
1Identification
【Name】
PTH-EPSILON-PHENYLTHIOCARBAMYL-DL-LYSINE
【CAS】
【MDL】
MFCD00057211
【English Synonyms】
【Formula】
C20 H22 N4 O S2
【MolWeight】
398.553
【Inchi】
InChI=1S/C20H22N4OS2/c25-18-17(23-20(27)24(18)16-11-5-2-6-12-16)13-7-8-14-21-19(26)22-15-9-3-1-4-10-15/h1-6,9-12,17H,7-8,13-14H2,(H,23,27)(H2,21,22,26)
【InChIKey】
InChIKey=BUPYRERCBPFRFM-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)NC(=S)NCCCCC2C(=O)N(C(=S)N2)c3ccccc3
【MOL File】
PTH-EPSILON-PHENYLTH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
PTH-EPSILON-PHENYLTHIOCARBAMYL-DL-LYSINE.cml