MU-HSSKLQ-AFC, 2TFA

CAS号
CCD编号
CCD00386654
分子式
C44 H61 F3 N12 O13 . 2 C2 H F3 O2
分子量
1251.07

基本信息

产品名称: MU-HSSKLQ-AFC, 2TFA
英文同义词: MU-HSSKLQ-AFC, 2TFA
MDL号: MFCD03428620
氢键受体数量: 25
氢键供体数量: 12
Smile: CC(C)C[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)Nc1ccc2c(c1)c(cc(=O)o2)C(F)(F)F)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc3c[nH]cn3)NC(=O)N4CCOCC4.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O
InChi: InChI=1S/C44H61F3N12O13.2C2HF3O2/c1-23(2)15-30(39(66)54-29(7-9-35(49)62)37(64)52-24-6-8-34-26(16-24)27(44(45,46)47)18-36(63)72-34)55-38(65)28(5-3-4-10-48)53-41(68)32(20-60)57-42(69)33(21-61)56-40(67)31(17-25-19-50-22-51-25)58-43(70)59-11-13-71-14-12-59;2*3-2(4,5)1(6)7/h6,8,16,18-19,22-23,28-33,60-61H,3-5,7,9-15,17,20-21,48H2,1-2H3,(H2,49,62)(H,50,51)(H,52,64)(H,53,68)(H,54,66)(H,55,65)(H,56,67)(H,57,69)(H,58,70);2*(H,6,7)/t28-,29-,30-,31-,32-,33-;;/m0../s1
InChiKey: InChIKey=IRIVILQSANIUDF-LVWIGBICSA-N

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