MG-115   Click here for help

GtoPdb Ligand ID: 11639

Synonyms: Cbz-Leu-Leu-norvalinal | N-benzyloxycarbonyl-L-leucyl-L-leucyl-L-norvalinal | Z-LL-Nva-CHO
Comment: MG-115 was first reported as an irreversible proteasome inhibitor [2].
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2D Structure
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Canonical SMILES CCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)CC(C)C)CC(C)C)C=O
Isomeric SMILES CCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)CC(C)C)CC(C)C)C=O
InChI InChI=1S/C25H39N3O5/c1-6-10-20(15-29)26-23(30)21(13-17(2)3)27-24(31)22(14-18(4)5)28-25(32)33-16-19-11-8-7-9-12-19/h7-9,11-12,15,17-18,20-22H,6,10,13-14,16H2,1-5H3,(H,26,30)(H,27,31)(H,28,32)/t20-,21-,22-/m0/s1
Classification Click here for help
Compound class Peptide or derivative
IUPAC Name Click here for help
benzyl N-[(2S)-4-methyl-1-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxopentan-2-yl]amino]pentan-2-yl]amino]-1-oxopentan-2-yl]carbamate
Synonyms Click here for help
Cbz-Leu-Leu-norvalinal | N-benzyloxycarbonyl-L-leucyl-L-leucyl-L-norvalinal | Z-LL-Nva-CHO
Database Links Click here for help
CAS Registry No. 133407-86-0 (source: PubChem)
ChEMBL Ligand CHEMBL4518490
GtoPdb PubChem SID 442878666
PubChem CID 9868928
Search Google for chemical match using the InChIKey QEJRGURBLQWEOU-FKBYEOEOSA-N
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UniChem Compound Search for chemical match using the InChIKey QEJRGURBLQWEOU-FKBYEOEOSA-N
UniChem Connectivity Search for chemical match using the InChIKey QEJRGURBLQWEOU-FKBYEOEOSA-N