CIONIN_化学云数据库

CIONIN

基本信息
产品名称：	CIONIN
英文同义词：	CLONIN ; CIONIN ; ASN-TYR(SO3H)-TYR(SO3H)-GLY-TRP-MET-ASP-PHE-NH2 ; H-ASN-TYR(SO3H)-TYR(SO3H)-GLY-TRP-MET-ASP-PHE-NH2
MDL号：	MFCD01861103
氢键受体数量：	30
氢键供体数量：	14
Smile：	CSCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N)NC(=O)[C@H](Cc2c[nH]c3c2cccc3)NC(=O)CNC(=O)[C@H](Cc4ccc(cc4)OS(=O)(=O)O)NC(=O)[C@H](Cc5ccc(cc5)OS(=O)(=O)O)NC(=O)[C@H](CC(=O)N)N
InChi：	InChI=1S/C53H63N11O19S3/c1-84-20-19-38(50(72)64-43(26-46(67)68)53(75)61-39(47(56)69)21-29-7-3-2-4-8-29)60-52(74)42(24-32-27-57-37-10-6-5-9-35(32)37)59-45(66)28-58-49(71)40(22-30-11-15-33(16-12-30)82-85(76,77)78)63-51(73)41(62-48(70)36(54)25-44(55)65)23-31-13-17-34(18-14-31)83-86(79,80)81/h2-18,27,36,38-43,57H,19-26,28,54H2,1H3,(H2,55,65)(H2,56,69)(H,58,71)(H,59,66)(H,60,74)(H,61,75)(H,62,70)(H,63,73)(H,64,72)(H,67,68)(H,76,77,78)(H,79,80,81)/t36-,38-,39-,40-,41-,42-,43-/m0/s1
InChiKey：	InChIKey=SMWALVPHKGXESK-TZLMNZOISA-N

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