DABCYL-GLY-LEU-ARG-THR-GLN-SER-PHE-SER-EDANS TRIFLUOROACETATE SALT

CAS号
CCD编号
CCD04458652
分子式
C65 H87 N17 O16 S . C2 H F3 O2
分子量
1508.59

基本信息

产品名称: DABCYL-GLY-LEU-ARG-THR-GLN-SER-PHE-SER-EDANS TRIFLUOROACETATE SALT
英文同义词: HEPATITIS A VIRUS 3C PROTEASE SUBSTRATE TRIFLUOROACETATE SALT ; DABCYL-GLY-LEU-ARG-THR-GLN-SER-PHE-SER-EDANS TRIFLUOROACETATE SALT ; HAV 3C PROTEASE SUBSTRATE TRIFLUOROACETATE SALT
MDL号: MFCD18782534
氢键受体数量: 33
氢键供体数量: 18
Smile: CC(C)C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)NCCNc2cccc3c2cccc3S(=O)(=O)O)NC(=O)CNC(=O)c4ccc(cc4)/N=N/c5ccc(cc5)N(C)C.C(=O)(C(F)(F)F)O
InChi: InChI=1S/C65H87N17O16S.C2HF3O2/c1-37(2)32-49(73-55(87)34-72-57(88)40-19-21-41(22-20-40)80-81-42-23-25-43(26-24-42)82(4)5)61(92)74-47(17-11-29-71-65(67)68)60(91)79-56(38(3)85)64(95)75-48(27-28-54(66)86)59(90)78-52(36-84)63(94)76-50(33-39-12-7-6-8-13-39)62(93)77-51(35-83)58(89)70-31-30-69-46-16-9-15-45-44(46)14-10-18-53(45)99(96,97)98;3-2(4,5)1(6)7/h6-10,12-16,18-26,37-38,47-52,56,69,83-85H,11,17,27-36H2,1-5H3,(H2,66,86)(H,70,89)(H,72,88)(H,73,87)(H,74,92)(H,75,95)(H,76,94)(H,77,93)(H,78,90)(H,79,91)(H4,67,68,71)(H,96,97,98);(H,6,7)/b81-80+;/t38-,47+,48+,49+,50+,51+,52+,56+;/m1./s1
InChiKey: InChIKey=GMJDBOPFHISVKA-JOQVVKSHSA-N

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