86579-06-8
H-LYS-ALA-GLU-ARG-ALA-ASP-LEU-ILE-ALA-TYR-LEU-LYS-GLN-ALA-THR-ALA-LYS-OH
NameH-LYS-ALA-GLU-ARG-ALA-ASP-LEU-ILE-ALA-TYR-LEU-LYS-GLN-ALA-THR-ALA-LYS-OH
1Identification
【Name】
H-LYS-ALA-GLU-ARG-ALA-ASP-LEU-ILE-ALA-TYR-LEU-LYS-GLN-ALA-THR-ALA-LYS-OH
【CAS】
【MDL】
MFCD06796080
【English Synonyms】
【Formula】
C84 H144 N24 O25
【MolWeight】
1890.2
【Inchi】
InChI=1S/C84H144N24O25/c1-13-43(6)65(107-80(129)59(38-42(4)5)106-79(128)61(40-64(114)115)104-69(118)45(8)94-73(122)54(24-20-36-92-84(90)91)99-76(125)56(30-32-63(112)113)98-67(116)44(7)93-72(121)52(88)21-14-17-33-85)81(130)96-47(10)70(119)103-60(39-50-25-27-51(110)28-26-50)78(127)105-58(37-41(2)3)77(126)100-53(22-15-18-34-86)75(124)101-55(29-31-62(89)111)74(123)95-48(11)71(120)108-66(49(12)109)82(131)97-46(9)68(117)102-57(83(132)133)23-16-19-35-87/h25-28,41-49,52-61,65-66,109-110H,13-24,29-40,85-88H2,1-12H3,(H2,89,111)(H,93,121)(H,94,122)(H,95,123)(H,96,130)(H,97,131)(H,98,116)(H,99,125)(H,100,126)(H,101,124)(H,102,117)(H,103,119)(H,104,118)(H,105,127)(H,106,128)(H,107,129)(H,108,120)(H,112,113)(H,114,115)(H,132,133)(H4,90,91,92)/t43-,44-,45-,46-,47-,48-,49+,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,65-,66-/m0/s1
【InChIKey】
InChIKey=UZAAFHHXLLVUAZ-XKHMURAPSA-N
【SMILES】
CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)N
【MOL File】
H-LYS-ALA-GLU-ARG-AL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:29
H bond acceptor:49
XLogP3:-10.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
H-LYS-ALA-GLU-ARG-ALA-ASP-LEU-ILE-ALA-TYR-LEU-LYS-GLN-ALA-THR-ALA-LYS-OH.cml