EPSILON-AMANITIN

CAS号
21705-02-2
CCD编号
CCD00250234
分子式
C39 H53 N9 O14 S
分子量
903.963

基本信息

产品名称: EPSILON-AMANITIN
CAS: 21705-02-2
英文同义词: EPSILON-AMANITIN
MDL号: MFCD01747008
氢键受体数量: 23
氢键供体数量: 12
Smile: CCC(C)[C@H]1C(=O)NCC(=O)N[C@@H]2CS(=O)c3c(c4ccc(cc4[nH]3)O)C[C@@H](C(=O)NCC(=O)N1)NC(=O)[C@@H](NC(=O)C5CC(CN5C(=O)[C@@H](NC2=O)CC(=O)O)O)[C@@H](C)[C@H](C)O
InChi: InChI=1S/C39H53N9O14S/c1-5-16(2)31-36(59)41-12-28(52)42-26-15-63(62)38-22(21-7-6-19(50)8-23(21)45-38)10-24(33(56)40-13-29(53)46-31)43-37(60)32(17(3)18(4)49)47-35(58)27-9-20(51)14-48(27)39(61)25(11-30(54)55)44-34(26)57/h6-8,16-18,20,24-27,31-32,45,49-51H,5,9-15H2,1-4H3,(H,40,56)(H,41,59)(H,42,52)(H,43,60)(H,44,57)(H,46,53)(H,47,58)(H,54,55)/t16?,17-,18-,20?,24-,25-,26+,27?,31-,32-,63?/m0/s1
InChiKey: InChIKey=OFILNAORONITPV-YXEUXXERSA-N

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