51230-19-4
PYR-HIS-TRP-SER-TYR-D-ALA-LEU-ARG-PRO-GLY-NH2
NamePYR-HIS-TRP-SER-TYR-D-ALA-LEU-ARG-PRO-GLY-NH2
1Identification
【Name】
PYR-HIS-TRP-SER-TYR-D-ALA-LEU-ARG-PRO-GLY-NH2
【CAS】
【MDL】
MFCD00133502
【English Synonyms】
【Formula】
C56 H77 N17 O13
【MolWeight】
1196.33
【Inchi】
InChI=1S/C56H77N17O13/c1-29(2)20-39(50(81)67-38(10-6-18-61-56(58)59)55(86)73-19-7-11-44(73)54(85)63-26-45(57)76)68-47(78)30(3)65-49(80)40(21-31-12-14-34(75)15-13-31)69-53(84)43(27-74)72-51(82)41(22-32-24-62-36-9-5-4-8-35(32)36)70-52(83)42(23-33-25-60-28-64-33)71-48(79)37-16-17-46(77)66-37/h4-5,8-9,12-15,24-25,28-30,37-44,62,74-75H,6-7,10-11,16-23,26-27H2,1-3H3,(H2,57,76)(H,60,64)(H,63,85)(H,65,80)(H,66,77)(H,67,81)(H,68,78)(H,69,84)(H,70,83)(H,71,79)(H,72,82)(H4,58,59,61)/t30-,37+,38+,39+,40+,41+,42+,43+,44+/m1/s1
【InChIKey】
InChIKey=SESQMDHICVIJCF-PCMWHEESSA-N
【SMILES】
CC(C)C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N)NC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc3c[nH]c4c3cccc4)NC(=O)[C@H](Cc5c[nH]cn5)NC(=O)[C@@H]6CCC(=O)N6
【MOL File】
PYR-HIS-TRP-SER-TYR-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:17
H bond acceptor:30
XLogP3:-6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
PYR-HIS-TRP-SER-TYR-D-ALA-LEU-ARG-PRO-GLY-NH2.cml