(DES-SER1)-CEREBELLIN

94245-80-4

MFCD00167554

C66 H108 N22 O21

1545.71

InChI=1S/C66H108N22O21/c1-9-32(4)50(63(106)80-40(19-15-21-73-66(70)71)55(98)84-46(29-91)61(104)88-51(36(8)92)64(107)82-42(24-47(69)93)58(101)83-43(65(108)109)23-38-26-72-30-74-38)87-54(97)35(7)76-60(103)45(28-90)85-57(100)41(22-37-16-11-10-12-17-37)81-53(96)34(6)77-62(105)49(31(2)3)86-56(99)39(18-13-14-20-67)79-52(95)33(5)75-59(102)44(27-89)78-48(94)25-68/h10-12,16-17,26,30-36,39-46,49-51,89-92H,9,13-15,18-25,27-29,67-68H2,1-8H3,(H2,69,93)(H,72,74)(H,75,102)(H,76,103)(H,77,105)(H,78,94)(H,79,95)(H,80,106)(H,81,96)(H,82,107)(H,83,101)(H,84,98)(H,85,100)(H,86,99)(H,87,97)(H,88,104)(H,108,109)(H4,70,71,73)/t32-,33-,34-,35-,36+,39-,40-,41-,42-,43-,44-,45-,46-,49-,50-,51-/m0/s1

InChIKey=GWKLULAHRJELIF-ZSHGYWJLSA-N

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)CN

pro_donors:26

pro_acceptors:43

XLogP3:-11.0

Bulk/Fine:F