71901-21-8
N-FORMYL-NLE-LEU-PHE-NLE-TYR-LYS
NameN-FORMYL-NLE-LEU-PHE-NLE-TYR-LYS
1Identification
【Name】
N-FORMYL-NLE-LEU-PHE-NLE-TYR-LYS
【CAS】
【MDL】
MFCD00076348
【English Synonyms】
【Formula】
C43 H65 N7 O9
【MolWeight】
824.026
【Inchi】
InChI=1S/C43H65N7O9/c1-5-7-16-32(45-27-51)38(53)48-35(24-28(3)4)40(55)50-36(25-29-14-10-9-11-15-29)41(56)46-33(17-8-6-2)39(54)49-37(26-30-19-21-31(52)22-20-30)42(57)47-34(43(58)59)18-12-13-23-44/h9-11,14-15,19-22,27-28,32-37,52H,5-8,12-13,16-18,23-26,44H2,1-4H3,(H,45,51)(H,46,56)(H,47,57)(H,48,53)(H,49,54)(H,50,55)(H,58,59)/t32-,33-,34-,35-,36-,37-/m0/s1
【InChIKey】
InChIKey=XZMLMTGOWVWIRV-DUGSHLAESA-N
【SMILES】
CCCC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)N[C@@H](CCCCN)C(=O)O)NC=O
【MOL File】
N-FORMYL-NLE-LEU-PHE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:9
H bond acceptor:16
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-FORMYL-NLE-LEU-PHE-NLE-TYR-LYS.cml