Drug Information

Drug General Information
Drug ID
D00CYX
Former ID
DNC005278
Drug Name
Glu-Leu-Asp-Leu-(CHOH-CH2)-Ala-Ala-Glu-Phe
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527272]
Structure
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2D MOL

3D MOL
Formula
C45H70N8O16
Canonical SMILES
CC(C)CC(C(=O)C(CNC(C)C(=O)NC(C(C)C)C(=O)NC(CCC(=O)O)C(=<br />O)NC(CC1=CC=CC=C1)C(=O)O)O)NC(=O)C(CC(=O)O)NC(=O)C(CC(C<br />)C)NC(=O)C(CCC(=O)O)N
InChI
1S/C45H70N8O16/c1-22(2)17-29(49-43(66)31(20-36(59)60)51-42(65)30(18-23(3)4)50-40(63)27(46)13-15-34(55)56)38(61)33(54)21-47-25(7)39(62)53-37(24(5)6)44(67)48-28(14-16-35(57)58)41(64)52-32(45(68)69)19-26-11-9-8-10-12-26/h8-12,22-25,27-33,37,47,54H,13-21,46H2,1-7H3,(H,48,67)(H,49,66)(H,50,63)(H,51,65)(H,52,64)(H,53,62)(H,55,56)(H,57,58)(H,59,60)(H,68,69)/t25-,27-,28-,29-,30-,31-,32-,33?,37-/m0/s1
InChIKey
WAHCXYBUKGOGCQ-SHELQGHFSA-N
PubChem Compound ID
44397266
Target and Pathway
Target(s) Beta-secretase Target Info Inhibitor [527272]
References
Ref 527272J Med Chem. 2004 Nov 4;47(23):5791-7.Efficient evaluation of binding free energy using continuum electrostatics solvation.
Ref 527272J Med Chem. 2004 Nov 4;47(23):5791-7.Efficient evaluation of binding free energy using continuum electrostatics solvation.

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