AC-ASP-GLU-ASP(EDANS)-GLU-GLU-ABU-PSI-[COO]-ALA-SER-LYS(DABCYL)-NH2

CAS No.
CCD No.
CCD00286006
Formula
C68 H90 N16 O25 S
MolWeight
1563.61

Basic Information

Product Name: AC-ASP-GLU-ASP(EDANS)-GLU-GLU-ABU-PSI-[COO]-ALA-SER-LYS(DABCYL)-NH2
English Synonyms: HEPATITIS C VIRUS PROTEASE FLUOROGENIC SUBSTRATE ; AC-DE-D(EDANS)-EE-ABU-PSI-[COO]-AS-K(DABCYL)-NH2 ; HCV PROTEASE FRET SUBSTRATE (RET S1) ; AC-ASP-GLU-ASP(EDANS)-GLU-GLU-ABU-PSI-[COO]-ALA-SER-LYS(DABCYL)-NH2 ; HCV PROTEASE FRET SUBSTRATE ; HCV PROTEASE FLUOROGENIC SUBSTRATE ; RET S1
MDL Number.: MFCD02094671
H bond acceptor: 41
H bond donor: 18
Smile: CC[C@@H](C(=O)ON[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCNC(=O)c1ccc(cc1)/N=N/c2ccc(cc2)N(C)C)C(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)OS(=O)(=O)c3cccc4c3cccc4NCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)C
InChi: InChI=1S/C68H90N16O25S/c1-6-44(68(105)108-83-36(2)60(97)80-52(35-85)67(104)75-46(59(70)96)13-7-8-31-72-61(98)38-16-18-39(19-17-38)81-82-40-20-22-41(23-21-40)84(4)5)74-62(99)47(24-27-54(87)88)76-63(100)48(25-28-55(89)90)78-66(103)51(79-64(101)49(26-29-56(91)92)77-65(102)50(33-57(93)94)73-37(3)86)34-58(95)109-110(106,107)53-15-10-11-42-43(53)12-9-14-45(42)71-32-30-69/h9-12,14-23,36,44,46-52,71,83,85H,6-8,13,24-35,69H2,1-5H3,(H2,70,96)(H,72,98)(H,73,86)(H,74,99)(H,75,104)(H,76,100)(H,77,102)(H,78,103)(H,79,101)(H,80,97)(H,87,88)(H,89,90)(H,91,92)(H,93,94)/b82-81+/t36-,44-,46-,47-,48-,49-,50-,51-,52-/m0/s1
InChiKey: InChIKey=NJOAOKUVTUGDTP-CEPWPSGYSA-N

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