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Ac-D-DGla-LI-Cha-C

CAT: 0804-HY-P4040Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-P4040Size:1 Each
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Description
Ac-D-DGla-LI-Cha-C is a potent HCV protease inhibitor peptide. Ac-D-DGla-LI-Cha-C can be used for the research of cancer, autoimmune diseases, fibrotic diseases, inflammatory diseases, neurodegenerative diseases, infectious diseases, lung diseases, heart and vascular diseases and metabolic diseases[1].
CAS Number
208940-40-3
UNSPSC
12352209
Target
HCV Protease
Type
Peptides
Related Pathways
Anti-infection; Metabolic Enzyme/Protease
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Cancer; Infection; Metabolic Disease; Inflammation/Immunology; Neurological Disease
Assay Protocol
https://www.medchemexpress.com/ac-d-dgla-li-cha-c.html
Solubility
H2O
Smiles
OC(C[C@H](NC(C)=O)C(N[C@H](CC(C(O)=O)C(O)=O)C(N[C@@H](CC(C)C)C(N[C@@H]([C@@H](C)CC)C(N[C@H](C(N[C@@H](CS)C(O)=O)=O)CC1CCCCC1)=O)=O)=O)=O)=O
Molecular Formula
C36H58N6O14S
Molecular Weight
830.94
References & Citations
[1]Dorian Bevec, et al. Hcv protease inhibitor and octreotide as therapeutic agents. WO2009033659A1.
Shipping Conditions
Room temperature
Scientific Category
Peptides
Clinical Information
No Development Reported

Chemical Information

Ac-D-DGla-LI-Cha-C
CAS Number208940-40-3
PubChem CID482209
IUPAC Name2-[(2R)-2-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]-3-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-oxopropyl]propanedioic acid
Molecular FormulaC36H58N6O14S
Molecular Weight830.9
XLogP2
Topological Polar Surface Area325
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count15
Rotatable Bond Count25
Heavy Atom Count57
Formal Charge0
Complexity1460
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CS)C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C(=O)O)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)C
InChI
InChI=1S/C36H58N6O14S/c1-6-18(4)28(33(50)40-23(13-20-10-8-7-9-11-20)29(46)41-26(16-57)36(55)56)42-32(49)22(12-17(2)3)38-30(47)24(14-21(34(51)52)35(53)54)39-31(48)25(15-27(44)45)37-19(5)43/h17-18,20-26,28,57H,6-16H2,1-5H3,(H,37,43)(H,38,47)(H,39,48)(H,40,50)(H,41,46)(H,42,49)(H,44,45)(H,51,52)(H,53,54)(H,55,56)/t18-,22-,23-,24+,25-,26-,28-/m0/s1
InChIKey
XKYQOVYBVHBDGP-XKQRCBBTSA-N
Chemical Structure
2D Structure
2D structure of Ac-D-DGla-LI-Cha-C
CAS: 208940-40-3
CID: 482209
Formula: C36H58N6O14S
MW: 830.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight830.9
XLogP32
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count15
Rotatable Bond Count25
Exact Mass830.37317172
Monoisotopic Mass830.37317172
Topological Polar Surface Area325 Ų
Heavy Atom Count57
Formal Charge0
Complexity1460
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes