Z-Arg-Leu-Val-Agly-Ile-Val-OMe   Click here for help

GtoPdb Ligand ID: 6534

Comment: Potent and selective inhibitor of cathepsin B
Click here for help
2D Structure
Click here for help
Click here for structure editor
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES CCC(C(C(=O)NC(C(=O)OC)C(C)C)NC(=O)NNC(=O)C(C(C)C)NC(=O)C(NC(=O)C(NC(=O)OCc1ccccc1)CCCN=C(N)N)CC(C)C)C
Isomeric SMILES CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)OC)C(C)C)NC(=O)NNC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)CCCN=C(N)N)CC(C)C)C
InChI InChI=1S/C38H64N10O9/c1-10-24(8)30(33(51)45-29(23(6)7)35(53)56-9)46-37(54)48-47-34(52)28(22(4)5)44-32(50)27(19-21(2)3)42-31(49)26(17-14-18-41-36(39)40)43-38(55)57-20-25-15-12-11-13-16-25/h11-13,15-16,21-24,26-30H,10,14,17-20H2,1-9H3,(H,42,49)(H,43,55)(H,44,50)(H,45,51)(H,47,52)(H4,39,40,41)(H2,46,48,54)/t24-,26-,27-,28-,29-,30-/m0/s1
InChI Key ZLXFGUGFOLETFJ-POPCVQDUSA-N
Classification Click here for help
Compound class Peptide or derivative
IUPAC Name Click here for help
methyl (2S)-2-[[(2S,3S)-2-[[[(2S)-2-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]carbamoylamino]-3-methylpentanoyl]amino]-3-methylbutanoate
Database Links Click here for help
ChEMBL Ligand CHEMBL2028907
GtoPdb PubChem SID 178103148
PubChem CID 10033311
Search Google for chemical match using the InChIKey ZLXFGUGFOLETFJ-POPCVQDUSA-N
Search Google for chemicals with the same backbone ZLXFGUGFOLETFJ
Search UniChem for chemical match using the InChIKey ZLXFGUGFOLETFJ-POPCVQDUSA-N
Search UniChem for chemicals with the same backbone ZLXFGUGFOLETFJ