2YT/PRD_001231

PHE-PHE-ARG-chloromethylketone

2YT/PRD_001231 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 4Q7Z.

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Chemical Component Summary

NamePHE-PHE-ARG-chloromethylketone
SynonymsPHE-PHE-ARG-chloromethylketone
Identifiers(2S)-2-azanyl-N-[(2S)-1-[[(2S,3S)-6-carbamimidamido-1-chloranyl-2-oxidanyl-hexan-3-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-3-phenyl-propanamide
FormulaC25 H35 Cl N6 O3
Molecular Weight503.037
TypePEPTIDE-LIKE
Isomeric SMILES[H]/N=C(/N)\NCCC[C@@H]([C@@H](CCl)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc2ccccc2)N
InChIInChI=1S/C25H35ClN6O3/c26-16-22(33)20(12-7-13-30-25(28)29)31-24(35)21(15-18-10-5-2-6-11-18)32-23(34)19(27)14-17-8-3-1-4-9-17/h1-6,8-11,19-22,33H,7,12-16,27H2,(H,31,35)(H,32,34)(H4,28,29,30)/t19-,20-,21-,22+/m0/s1
InChIKeyZKHBINZTIMXMQW-MYGLTJDJSA-N
CompositionPolymer Sequences: PHE-PHE-AR7-0QE
BIRD classINHIBITOR
Represented AsSINGLE MOLECULE
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count70
Chiral Atom Count4
Bond Count71
Aromatic Bond Count12

Related Resource References

Resource NameReference
PubChem 137348104