74551-31-8
D-VALYL-L-PHENYLALANYL-N-(4-NITROPHENYL)-L-LYSINAMIDE DIHYDROCHLORIDE
NameD-VALYL-L-PHENYLALANYL-N-(4-NITROPHENYL)-L-LYSINAMIDE DIHYDROCHLORIDE
FormulaC26 H36 N6 O5 . 2 Cl H
1Identification
【Name】
D-VALYL-L-PHENYLALANYL-N-(4-NITROPHENYL)-L-LYSINAMIDE DIHYDROCHLORIDE
【CAS】
【MDL】
MFCD00792774
【English Synonyms】
【Formula】
C26 H36 N6 O5 . 2 Cl H
【MolWeight】
585.529
【Inchi】
InChI=1S/C26H36N6O5.2ClH/c1-17(2)23(28)26(35)31-22(16-18-8-4-3-5-9-18)25(34)30-21(10-6-7-15-27)24(33)29-19-11-13-20(14-12-19)32(36)37;;/h3-5,8-9,11-14,17,21-23H,6-7,10,15-16,27-28H2,1-2H3,(H,29,33)(H,30,34)(H,31,35);2*1H/t21-,22-,23+;;/m0../s1
【InChIKey】
InChIKey=YEBWLAGPKSITFL-ZBFJBHFYSA-N
【SMILES】
CC(C)[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)Nc2ccc(cc2)[N+](=O)[O-])N.Cl.Cl
【MOL File】
D-VALYL-L-PHENYLALAN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:5
H bond acceptor:11
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
D-VALYL-L-PHENYLALANYL-N-(4-NITROPHENYL)-L-LYSINAMIDE DIHYDROCHLORIDE.cml