75813-50-2
H-LYS-PRO-PRO-THR-PRO-PRO-PRO-GLU-PRO-GLU-THR-OH
NameH-LYS-PRO-PRO-THR-PRO-PRO-PRO-GLU-PRO-GLU-THR-OH
1Identification
【Name】
H-LYS-PRO-PRO-THR-PRO-PRO-PRO-GLU-PRO-GLU-THR-OH
【CAS】
【MDL】
MFCD00133517
【English Synonyms】
【Formula】
C54 H84 N12 O18
【MolWeight】
1189.32
【Inchi】
InChI=1S/C54H84N12O18/c1-29(67)42(59-47(76)36-14-7-25-63(36)50(79)37-15-8-26-64(37)48(77)31(56)11-3-4-22-55)53(82)66-28-10-17-39(66)52(81)65-27-9-16-38(65)51(80)62-24-6-13-35(62)46(75)58-33(19-21-41(71)72)49(78)61-23-5-12-34(61)45(74)57-32(18-20-40(69)70)44(73)60-43(30(2)68)54(83)84/h29-39,42-43,67-68H,3-28,55-56H2,1-2H3,(H,57,74)(H,58,75)(H,59,76)(H,60,73)(H,69,70)(H,71,72)(H,83,84)/t29-,30-,31+,32+,33+,34+,35+,36+,37+,38+,39+,42+,43+/m1/s1
【InChIKey】
InChIKey=DECUQDWFTZZXMZ-XXRONSBDSA-N
【SMILES】
C[C@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCC(=O)O)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)O)NC(=O)[C@@H]5CCCN5C(=O)[C@@H]6CCCN6C(=O)[C@H](CCCCN)N)O
【MOL File】
H-LYS-PRO-PRO-THR-PR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:11
H bond acceptor:30
XLogP3:-5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
H-LYS-PRO-PRO-THR-PRO-PRO-PRO-GLU-PRO-GLU-THR-OH.cml