75590-17-9
D-VAL-PHE-LYS CHLOROMETHYL KETONE DIHYDROCHLORIDE
NameD-VAL-PHE-LYS CHLOROMETHYL KETONE DIHYDROCHLORIDE
FormulaC21 H33 Cl N4 O3 . Cl H
1Identification
【Name】
D-VAL-PHE-LYS CHLOROMETHYL KETONE DIHYDROCHLORIDE
【CAS】
【MDL】
MFCD00077405
【English Synonyms】
【Formula】
C21 H33 Cl N4 O3 . Cl H
【MolWeight】
461.431
【Inchi】
InChI=1S/C21H33ClN4O3.ClH/c1-14(2)19(24)21(29)26-17(12-15-8-4-3-5-9-15)20(28)25-16(18(27)13-22)10-6-7-11-23;/h3-5,8-9,14,16-17,19H,6-7,10-13,23-24H2,1-2H3,(H,25,28)(H,26,29);1H/t16-,17-,19+;/m0./s1
【InChIKey】
InChIKey=NODUKTQIPFXATR-ITJMAPPJSA-N
【SMILES】
CC(C)[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)CCl)N.Cl
【MOL File】
D-VAL-PHE-LYS CHLORO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:4
H bond acceptor:7
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
D-VAL-PHE-LYS CHLOROMETHYL KETONE DIHYDROCHLORIDE.cml