Drug Information

Drug General Information
Drug ID
D0H9AV
Former ID
DNC012834
Drug Name
AcAsp-Glu-Dif-Ile-Cha-Cys-Pro-Cha-Asp-ValNH2
Indication Discovery agent Investigative [527362]
Structure
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2D MOL

3D MOL
Formula
C67H97N11O17S
Canonical SMILES
CCC(C)C(C(=O)NC(CC1CCCCC1)C(=O)NC(CS)C(=O)N2CCCC2C(=O)N<br />C(CC3CCCCC3)C(=O)NC(CC(=O)O)C(=O)NC(C(C)C)C(=O)N)NC(=O)<br />C(C(C4=CC=CC=C4)C5=CC=CC=C5)NC(=O)C(CCC(=O)O)NC(=O)C(CC<br />(=O)O)NC(=O)C
InChI
1S/C67H97N11O17S/c1-6-38(4)56(76-66(94)57(54(42-24-15-9-16-25-42)43-26-17-10-18-27-43)77-59(87)44(29-30-51(80)81)70-62(90)47(34-52(82)83)69-39(5)79)65(93)73-46(33-41-22-13-8-14-23-41)61(89)74-49(36-96)67(95)78-31-19-28-50(78)64(92)72-45(32-40-20-11-7-12-21-40)60(88)71-48(35-53(84)85)63(91)75-55(37(2)3)58(68)86/h9-10,15-18,24-27,37-38,40-41,44-50,54-57,96H,6-8,11-14,19-23,28-36H2,1-5H3,(H2,68,86)(H,69,79)(H,70,90)(H,71,88)(H,72,92)(H,73,93)(H,74,89)(H,75,91)(H,76,94)(H,77,87)(H,80,81)(H,82,83)(H,84,85)/t38?,44-,45?,46-,47-,48-,49-,50+,55-,56-,57-/m0/s1
InChIKey
HHWSXWBIJCFKKB-VQTAYXAZSA-N
PubChem Compound ID
44388155
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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