GALANIN (1-19) (HUMAN)

136005-51-1

MFCD00144383

C89 H130 N26 O25

1964.16

InChI=1S/C89H130N26O25/c1-42(2)23-56(77(127)98-38-72(124)115-22-14-17-66(115)86(136)109-61(28-51-34-93-40-99-51)78(128)102-47(10)76(126)113-73(45(7)8)87(137)97-37-71(123)105-62(30-67(91)119)82(132)111-64(89(139)140)29-52-35-94-41-100-52)106-79(129)57(24-43(3)4)107-81(131)59(26-49-18-20-53(118)21-19-49)104-70(122)36-96-75(125)46(9)101-85(135)65(39-116)112-83(133)63(31-68(92)120)108-80(130)58(25-44(5)6)110-88(138)74(48(11)117)114-84(134)60(103-69(121)32-90)27-50-33-95-55-16-13-12-15-54(50)55/h12-13,15-16,18-21,33-35,40-48,56-66,73-74,95,116-118H,14,17,22-32,36-39,90H2,1-11H3,(H2,91,119)(H2,92,120)(H,93,99)(H,94,100)(H,96,125)(H,97,137)(H,98,127)(H,101,135)(H,102,128)(H,103,121)(H,104,122)(H,105,123)(H,106,129)(H,107,131)(H,108,130)(H,109,136)(H,110,138)(H,111,132)(H,112,133)(H,113,126)(H,114,134)(H,139,140)/t46-,47-,48+,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,73-,74-/m0/s1

InChIKey=UKPCKEWJIIKMHQ-WNXXINOUSA-N

CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](Cc3c[nH]cn3)C(=O)O)NC(=O)[C@H](Cc4ccc(cc4)O)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc5c[nH]c6c5cccc6)NC(=O)CN

氢键供体数量:27

氢键受体数量:51

XLogP3:-6.0

Bulk/Fine:F