66839-66-5
PYR-GLN-LYS-LEU-GLY-ASN-GLN-TRP-ALA-VAL-GLY-HIS-LEU-MET-NH2
NamePYR-GLN-LYS-LEU-GLY-ASN-GLN-TRP-ALA-VAL-GLY-HIS-LEU-MET-NH2
FormulaC71 H110 N22 O18 S
1Identification
【Name】
PYR-GLN-LYS-LEU-GLY-ASN-GLN-TRP-ALA-VAL-GLY-HIS-LEU-MET-NH2
【CAS】
【MDL】
MFCD00167515
【English Synonyms】
【Formula】
C71 H110 N22 O18 S
【MolWeight】
1591.85
【Inchi】
InChI=1S/C71H110N22O18S/c1-35(2)25-48(90-63(103)44(15-11-12-23-72)87-65(105)46(16-19-53(73)94)88-64(104)45-18-21-56(97)83-45)62(102)79-32-57(98)85-52(29-55(75)96)70(110)89-47(17-20-54(74)95)66(106)92-50(27-39-30-78-42-14-10-9-13-41(39)42)67(107)82-38(7)61(101)93-59(37(5)6)71(111)80-33-58(99)84-51(28-40-31-77-34-81-40)69(109)91-49(26-36(3)4)68(108)86-43(60(76)100)22-24-112-8/h9-10,13-14,30-31,34-38,43-52,59,78H,11-12,15-29,32-33,72H2,1-8H3,(H2,73,94)(H2,74,95)(H2,75,96)(H2,76,100)(H,77,81)(H,79,102)(H,80,111)(H,82,107)(H,83,97)(H,84,99)(H,85,98)(H,86,108)(H,87,105)(H,88,104)(H,89,110)(H,90,103)(H,91,109)(H,92,106)(H,93,101)/t38-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,59-/m0/s1
【InChIKey】
InChIKey=DXMFSGIDMUPBCC-FPFNSDSHSA-N
【SMILES】
CC(C)C[C@@H](C(=O)NCC(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](Cc3c[nH]cn3)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]4CCC(=O)N4
【MOL File】
PYR-GLN-LYS-LEU-GLY-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:21
H bond acceptor:40
XLogP3:-7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
【WGK Germany】
3
4CML File
PYR-GLN-LYS-LEU-GLY-ASN-GLN-TRP-ALA-VAL-GLY-HIS-LEU-MET-NH2.cml