SIVMAC239 GAG-36_ChemCD

SIVMAC239 GAG-36

basic_info
Product_Name：	SIVMAC239 GAG-36
EnglishSynonyms：	CQGVGGPGQKARLMAEALKE ; SIVMAC239 GAG-36 ; H-CYS-GLN-GLY-VAL-GLY-GLY-PRO-GLY-GLN-LYS-ALA-ARG-LEU-MET-ALA-GLU-ALA-LEU-LYS-GLU-OH
pro_mdlNumber：	MFCD03790633
pro_acceptors：	54
pro_donors：	29
pro_smile：	CC(C)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)N)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CNC(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CS)N
InChi：	InChI=1S/C85H147N27O27S2/c1-42(2)35-57(80(134)106-50(18-12-14-31-87)77(131)108-56(84(138)139)24-28-67(121)122)109-71(125)47(9)99-75(129)54(23-27-66(119)120)103-70(124)46(8)100-76(130)55(29-34-141-10)107-81(135)58(36-43(3)4)110-78(132)51(19-15-32-93-85(91)92)102-69(123)45(7)98-74(128)49(17-11-13-30-86)105-79(133)53(22-26-61(90)114)101-63(116)38-96-82(136)59-20-16-33-112(59)65(118)40-94-62(115)37-97-83(137)68(44(5)6)111-64(117)39-95-73(127)52(21-25-60(89)113)104-72(126)48(88)41-140/h42-59,68,140H,11-41,86-88H2,1-10H3,(H2,89,113)(H2,90,114)(H,94,115)(H,95,127)(H,96,136)(H,97,137)(H,98,128)(H,99,129)(H,100,130)(H,101,116)(H,102,123)(H,103,124)(H,104,126)(H,105,133)(H,106,134)(H,107,135)(H,108,131)(H,109,125)(H,110,132)(H,111,117)(H,119,120)(H,121,122)(H,138,139)(H4,91,92,93)/t45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,68-/m0/s1
InChiKey：	InChIKey=KLJNHTOCIGAJCZ-GKNWOBLYSA-N

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