Drug Information

Drug General Information
Drug ID
D0K9BF
Former ID
DNC012767
Drug Name
AcAsp-Glu-Dif-Glu-Cha-Cys
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527362]
Structure
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2D MOL

3D MOL
Formula
C43H56N6O14S
Canonical SMILES
CC(=O)NC(CC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(C(C1=CC=CC=C1<br />)C2=CC=CC=C2)C(=O)NC(CCC(=O)O)C(=O)NC(CC3CCCCC3)C(=O)NC<br />(CS)C(=O)O
InChI
1S/C43H56N6O14S/c1-24(50)44-31(22-35(55)56)41(60)45-29(18-20-34(53)54)39(58)49-37(36(26-13-7-3-8-14-26)27-15-9-4-10-16-27)42(61)46-28(17-19-33(51)52)38(57)47-30(21-25-11-5-2-6-12-25)40(59)48-32(23-64)43(62)63/h3-4,7-10,13-16,25,28-32,36-37,64H,2,5-6,11-12,17-23H2,1H3,(H,44,50)(H,45,60)(H,46,61)(H,47,57)(H,48,59)(H,49,58)(H,51,52)(H,53,54)(H,55,56)(H,62,63)/t28-,29-,30-,31-,32-,37-/m0/s1
InChIKey
UJAUCRPOZPWCGV-XJJOYFJPSA-N
PubChem Compound ID
482211
Target and Pathway
Target(s) Nonstructural protein NS3 Target Info Inhibitor [527362]
References
Ref 527362J Med Chem. 2005 Jan 13;48(1):1-20.Control of hepatitis C: a medicinal chemistry perspective.
Ref 527362J Med Chem. 2005 Jan 13;48(1):1-20.Control of hepatitis C: a medicinal chemistry perspective.

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