醋酸齐考诺肽

CAS号
107452-89-1
CCD编号
CCD00692173
分子式
C102 H172 N36 O32 S7 . C2 H4 O2
分子量
2699.21

基本信息

产品名称: 醋酸齐考诺肽
CAS: 107452-89-1
中文同义词: 醋酸齐考诺肽
英文同义词: ZICONOTIDE ACETATE ; Ω-CONOTOXIN MVIIA ; H-CYS-LYS-GLY-LYS-GLY-ALA-LYS-CYS-SER-ARG-LEU-MET-TYR-ASP-CYS-CYS-THR-GLY-SER-CYS-ARG-SER-GLY-LYS-CYS-NH2 ACETATE
MDL号: MFCD08704803
氢键受体数量: 68
氢键供体数量: 42
Smile: C[C@H]1C(=O)N[C@H](C(=O)N[C@H]2CSSC[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N1)CCCCN)CCCCN)N)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N3)CO)[C@@H](C)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)CO)CCCNC(=N)N)CC(C)C)CCSC)Cc4ccc(cc4)O)CC(=O)O)C(=O)N)CCCCN)CO)CCCNC(=N)N)CCCCN.CC(=O)O
InChi: InChI=1S/C102H172N36O32S7.C2H4O2/c1-50(2)34-63-91(161)127-62(26-33-171-5)90(160)129-64(35-53-22-24-54(143)25-23-53)92(162)130-65(36-78(148)149)93(163)135-72-48-175-173-45-69(80(108)150)133-86(156)58(18-8-12-29-105)121-76(146)39-117-85(155)66(41-139)131-88(158)61(21-15-32-114-102(111)112)126-96(166)70-46-176-177-47-71(97(167)132-68(43-141)95(165)125-60(87(157)128-63)20-14-31-113-101(109)110)134-89(159)59(19-9-13-30-106)123-81(151)51(3)119-74(144)37-115-83(153)56(16-6-10-27-103)120-75(145)38-116-84(154)57(17-7-11-28-104)124-82(152)55(107)44-172-174-49-73(137-98(72)168)99(169)138-79(52(4)142)100(170)118-40-77(147)122-67(42-140)94(164)136-70;1-2(3)4/h22-25,50-52,55-73,79,139-143H,6-21,26-49,103-107H2,1-5H3,(H2,108,150)(H,115,153)(H,116,154)(H,117,155)(H,118,170)(H,119,144)(H,120,145)(H,121,146)(H,122,147)(H,123,151)(H,124,152)(H,125,165)(H,126,166)(H,127,161)(H,128,157)(H,129,160)(H,130,162)(H,131,158)(H,132,167)(H,133,156)(H,134,159)(H,135,163)(H,136,164)(H,137,168)(H,138,169)(H,148,149)(H4,109,110,113)(H4,111,112,114);1H3,(H,3,4)/t51-,52+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,79-;/m0./s1
InChiKey: InChIKey=LBACTXHPMJIKTR-XZSNVYKZSA-N

性质

安全信息

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