623172-56-5
PALMITOYL TRIPEPTIDE-5
NamePALMITOYL TRIPEPTIDE-5
FormulaC33 H65 N5 O5 . 2 C2 H F3 O2
1Identification
【Name】
PALMITOYL TRIPEPTIDE-5
【CAS】
【MDL】
MFCD16621111
【English Synonyms】
【Formula】
C33 H65 N5 O5 . 2 C2 H F3 O2
【MolWeight】
839.95
【Inchi】
InChI=1S/C33H65N5O5.2C2HF3O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-23-29(39)36-27(21-17-19-24-34)31(40)38-30(26(2)3)32(41)37-28(33(42)43)22-18-20-25-35;2*3-2(4,5)1(6)7/h26-28,30H,4-25,34-35H2,1-3H3,(H,36,39)(H,37,41)(H,38,40)(H,42,43);2*(H,6,7)/t27-,28-,30-;;/m0../s1
【InChIKey】
InChIKey=FKCOHLNFINRFFR-RROPMPDHSA-N
【SMILES】
CCCCCCCCCCCCCCCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O
【MOL File】
PALMITOYL TRIPEPTIDE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:6
H bond acceptor:10
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
PALMITOYL TRIPEPTIDE-5.cml