NEUROPEPTIDE AF (HUMAN)

192387-38-5

MFCD03093436

C90 H132 N26 O25

1978.19

InChI=1S/C90H132N26O25/c1-45(2)34-60(105-72(123)42-101-77(129)56(28-31-73(124)125)104-71(122)41-100-75(127)47(5)91)82(134)113-64(39-70(94)121)85(137)115-65(43-117)86(138)107-57(26-29-68(92)119)80(132)111-62(37-51-20-12-9-13-21-51)83(135)112-63(38-52-40-99-54-23-15-14-22-53(52)54)84(136)114-66(44-118)87(139)110-61(35-46(3)4)81(133)102-48(6)76(128)103-49(7)89(141)116-33-17-25-67(116)88(140)108-58(27-30-69(93)120)79(131)106-55(24-16-32-98-90(96)97)78(130)109-59(74(95)126)36-50-18-10-8-11-19-50/h8-15,18-23,40,45-49,55-67,99,117-118H,16-17,24-39,41-44,91H2,1-7H3,(H2,92,119)(H2,93,120)(H2,94,121)(H2,95,126)(H,100,127)(H,101,129)(H,102,133)(H,103,128)(H,104,122)(H,105,123)(H,106,131)(H,107,138)(H,108,140)(H,109,130)(H,110,139)(H,111,132)(H,112,135)(H,113,134)(H,114,136)(H,115,137)(H,124,125)(H4,96,97,98)/t47-,48-,49-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-/m0/s1

InChIKey=DYSIROANKWMSGC-KWFINLGMSA-N

CC(C)C[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc5ccccc5)C(=O)N)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](C)N

H bond donor:28

H bond acceptor:51

XLogP3:-13.0

Bulk/Fine:F