2B-(S)

CAS No.
CCD No.
CCD00357258
Formula
C81 H136 N28 O28 S
MolWeight
1982.2

Basic Information

Product Name: 2B-(S)
English Synonyms: 2B-(S) ; BIOTIN-ARG-ARG-ALA-ALA-GLU-GLU-LEU-ASP-SER-ARG-ALA-GLY-SER-PRO-GLN-LEU-OH ; GSK-3 SUBSTRATE, BIOTINYLATED ; BIOTIN-(ARG)(ARG)(ALA)(ALA)(GLU)(GLU)(LEU)(ASP)(SER)(ARG)(ALA)(GLY)(SER)(PRO)(GLN)(LEU) ; BIOTIN-RRAAEELDSRAGSPQL
MDL Number.: MFCD03093665
H bond acceptor: 56
H bond donor: 33
Smile: CC(C)C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3
InChi: InChI=1S/C81H136N28O28S/c1-37(2)30-48(72(130)104-49(32-61(119)120)73(131)106-51(34-110)74(132)100-44(16-12-28-91-80(87)88)66(124)94-39(5)63(121)92-33-58(114)97-52(35-111)76(134)109-29-13-17-54(109)75(133)102-45(20-23-56(82)112)71(129)105-50(77(135)136)31-38(3)4)103-70(128)47(22-25-60(117)118)101-69(127)46(21-24-59(115)116)98-65(123)41(7)93-64(122)40(6)95-67(125)43(15-11-27-90-79(85)86)99-68(126)42(14-10-26-89-78(83)84)96-57(113)19-9-8-18-55-62-53(36-138-55)107-81(137)108-62/h37-55,62,110-111H,8-36H2,1-7H3,(H2,82,112)(H,92,121)(H,93,122)(H,94,124)(H,95,125)(H,96,113)(H,97,114)(H,98,123)(H,99,126)(H,100,132)(H,101,127)(H,102,133)(H,103,128)(H,104,130)(H,105,129)(H,106,131)(H,115,116)(H,117,118)(H,119,120)(H,135,136)(H4,83,84,89)(H4,85,86,90)(H4,87,88,91)(H2,107,108,137)/t39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,62-/m0/s1
InChiKey: InChIKey=WWQHJIJLHTVBDI-LADUJLPUSA-N

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