Drug Information

Drug General Information
Drug ID
D0BP1S
Former ID
DNC012833
Drug Name
AcAsp-Glu-Dif-Ile-Cha-Cys-Pro-Nle-Asp-ValNH2
Indication Discovery agent Investigative [527362]
Structure
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2D MOL

3D MOL
Formula
C64H93N11O17S
Canonical SMILES
CCCCC(C(=O)NC(CC(=O)O)C(=O)NC(C(C)C)C(=O)N)NC(=O)C1CCCN<br />1C(=O)C(CS)NC(=O)C(CC2CCCCC2)NC(=O)C(C(C)CC)NC(=O)C(C(C<br />3=CC=CC=C3)C4=CC=CC=C4)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O<br />)NC(=O)C
InChI
1S/C64H93N11O17S/c1-7-9-26-41(56(84)69-45(33-50(81)82)60(88)72-52(35(3)4)55(65)83)68-61(89)47-27-19-30-75(47)64(92)46(34-93)71-58(86)43(31-38-20-13-10-14-21-38)70-62(90)53(36(5)8-2)73-63(91)54(51(39-22-15-11-16-23-39)40-24-17-12-18-25-40)74-57(85)42(28-29-48(77)78)67-59(87)44(32-49(79)80)66-37(6)76/h11-12,15-18,22-25,35-36,38,41-47,51-54,93H,7-10,13-14,19-21,26-34H2,1-6H3,(H2,65,83)(H,66,76)(H,67,87)(H,68,89)(H,69,84)(H,70,90)(H,71,86)(H,72,88)(H,73,91)(H,74,85)(H,77,78)(H,79,80)(H,81,82)/t36?,41?,42-,43-,44-,45-,46-,47+,52-,53-,54-/m0/s1
InChIKey
BZVYIEQNRWILPS-CPLDFCFASA-N
PubChem Compound ID
44388154
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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