Drug Information

Drug General Information
Drug ID
D05EDA
Former ID
DNC012825
Drug Name
AcAsp-Glu-Cha-Val-Prb-Cys
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527362]
Structure
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2D MOL

3D MOL
Formula
C40H58N6O13S
Canonical SMILES
CC(C)C(C(=O)N1CC(CC1C(=O)NC(CS)C(=O)O)OCC2=CC=CC=C2)NC(<br />=O)C(CC3CCCCC3)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C
InChI
1S/C40H58N6O13S/c1-22(2)34(39(56)46-19-26(59-20-25-12-8-5-9-13-25)17-31(46)38(55)44-30(21-60)40(57)58)45-37(54)28(16-24-10-6-4-7-11-24)43-35(52)27(14-15-32(48)49)42-36(53)29(18-33(50)51)41-23(3)47/h5,8-9,12-13,22,24,26-31,34,60H,4,6-7,10-11,14-21H2,1-3H3,(H,41,47)(H,42,53)(H,43,52)(H,44,55)(H,45,54)(H,48,49)(H,50,51)(H,57,58)/t26-,27+,28+,29+,30?,31+,34+/m1/s1
InChIKey
UINXWQSPCZCPNY-MKVQYLHRSA-N
PubChem Compound ID
44388179
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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