77128-69-9
PYR-GLN-PHE-N-ME-PHE-SAR-LEU-MET-NH2
NamePYR-GLN-PHE-N-ME-PHE-SAR-LEU-MET-NH2
1Identification
【Name】
PYR-GLN-PHE-N-ME-PHE-SAR-LEU-MET-NH2
【CAS】
【MDL】
MFCD00133835
【English Synonyms】
【Formula】
C43 H61 N9 O9 S
【MolWeight】
880.075
【Inchi】
InChI=1S/C43H61N9O9S/c1-26(2)22-32(41(59)48-29(38(45)56)20-21-62-5)47-37(55)25-51(3)43(61)34(24-28-14-10-7-11-15-28)52(4)42(60)33(23-27-12-8-6-9-13-27)50-40(58)31(16-18-35(44)53)49-39(57)30-17-19-36(54)46-30/h6-15,26,29-34H,16-25H2,1-5H3,(H2,44,53)(H2,45,56)(H,46,54)(H,47,55)(H,48,59)(H,49,57)(H,50,58)/t29-,30-,31-,32-,33-,34-/m0/s1
【InChIKey】
InChIKey=IEEBRBMEXFNVKU-CVUOCSEZSA-N
【SMILES】
CC(C)C[C@@H](C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)CN(C)C(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]3CCC(=O)N3
【MOL File】
PYR-GLN-PHE-N-ME-PHE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:7
H bond acceptor:18
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
PYR-GLN-PHE-N-ME-PHE-SAR-LEU-MET-NH2.cml