GC-376   Click here for help

GtoPdb Ligand ID: 10883

Synonyms: compound 7a [PMID: 23218713] | GC376
Compound class: Synthetic organic
Comment: GC-376 is an inhibitor of viral proteases, in particular of the 3CL protease (3CL-pro) [1-2].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 11
Hydrogen bond donors 5
Rotatable bonds 14
Topological polar surface area 179.51
Molecular weight 485.18
XLogP 0.33
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
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Canonical SMILES CC(C[C@@H](C(=O)N[C@H](C(S(=O)(=O)O)O)CC1CCNC1=O)NC(=O)OCc1ccccc1)C
Isomeric SMILES CC(C[C@@H](C(=O)N[C@H](C(S(=O)(=O)O)O)CC1CCNC1=O)NC(=O)OCc1ccccc1)C
InChI InChI=1S/C21H31N3O8S/c1-13(2)10-16(24-21(28)32-12-14-6-4-3-5-7-14)19(26)23-17(20(27)33(29,30)31)11-15-8-9-22-18(15)25/h3-7,13,15-17,20,27H,8-12H2,1-2H3,(H,22,25)(H,23,26)(H,24,28)(H,29,30,31)/t15?,16-,17-,20?/m0/s1
InChI Key BSPZFJDYQHDZNR-ASPXRTSYSA-N
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Compound class Synthetic organic
IUPAC Name Click here for help
(2S)-1-hydroxy-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-(2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
Synonyms Click here for help
compound 7a [PMID: 23218713] | GC376
Database Links Click here for help
ChEMBL Ligand CHEMBL2365410
GtoPdb PubChem SID 405560324
PubChem CID 71481120
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