CKS-17

99273-04-8

MFCD00076820

C87 H148 N26 O24

1942.28

InChI=1S/C87H148N26O24/c1-44(2)32-51(89)72(123)103-56(25-27-65(90)114)77(128)112-62(39-66(91)115)83(134)106-54(24-19-31-97-87(94)95)76(127)104-52(23-18-30-96-86(92)93)73(124)100-43-69(118)101-57(33-45(3)4)78(129)113-63(40-71(121)122)84(135)110-59(35-47(7)8)80(131)108-60(36-48(9)10)81(132)111-61(38-50-20-14-13-15-21-50)82(133)109-58(34-46(5)6)79(130)105-53(22-16-17-29-88)75(126)107-55(26-28-70(119)120)74(125)99-41-67(116)98-42-68(117)102-64(85(136)137)37-49(11)12/h13-15,20-21,44-49,51-64H,16-19,22-43,88-89H2,1-12H3,(H2,90,114)(H2,91,115)(H,98,116)(H,99,125)(H,100,124)(H,101,118)(H,102,117)(H,103,123)(H,104,127)(H,105,130)(H,106,134)(H,107,126)(H,108,131)(H,109,133)(H,110,135)(H,111,132)(H,112,128)(H,113,129)(H,119,120)(H,121,122)(H,136,137)(H4,92,93,96)(H4,94,95,97)/t51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-/m0/s1

InChIKey=RESSROXEVCGJLA-DFNTYYFDSA-N

CC(C)C[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)O)N

pro_donors:29

pro_acceptors:50

XLogP3:-14.0

Bulk/Fine:F