PRD_002526

DFFR-chloromethyl ketone inhibitor

PRD_002526 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 3E0N.

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Chemical Component Summary

NameDFFR-chloromethyl ketone inhibitor
Identifiers(2~{R})-2-azanyl-~{N}-[(2~{S})-1-[[(3~{S})-6-carbamimidamido-2-oxidanylidene-hexan-3-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-3-phenyl-propanamide
FormulaC25 H34 N6 O3
Molecular Weight466.576
TypePEPTIDE-LIKE
Isomeric SMILES[H]/N=C(\N)/NCCC[C@@H](C(=O)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc2ccccc2)N
InChIInChI=1S/C25H34N6O3/c1-17(32)21(13-8-14-29-25(27)28)30-24(34)22(16-19-11-6-3-7-12-19)31-23(33)20(26)15-18-9-4-2-5-10-18/h2-7,9-12,20-22H,8,13-16,26H2,1H3,(H,30,34)(H,31,33)(H4,27,28,29)/t20-,21+,22+/m1/s1
InChIKeyIMDKGXZMDWBUQJ-FSSWDIPSSA-N
CompositionPolymer Sequences: DPN-PHE-ARM
BIRD classINHIBITOR
Represented AsPOLYMER
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count68
Chiral Atom Count3
Bond Count69
Aromatic Bond Count12

Related Resource References

Resource NameReference
PubChem 5288104