PRD_000419

Acetyl-L-alanyl-L-alanyl-L-phenylalanyl-L-alanine chloromethyl ketone, AcAAPACK

PRD_000419 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 1PAD.

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Chemical Component Summary

NameAcetyl-L-alanyl-L-alanyl-L-phenylalanyl-L-alanine chloromethyl ketone, AcAAPACK
Identifiers(2S)-2-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]propanoyl]amino]-N-[(2S)-4-chloranyl-3-oxidanylidene-butan-2-yl]-3-phenyl-propanamide
FormulaC21 H29 Cl N4 O5
Molecular Weight452.932
TypePEPTIDE-LIKE
Isomeric SMILESC[C@@H](C(=O)CCl)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C
InChIInChI=1S/C21H29ClN4O5/c1-12(18(28)11-22)24-21(31)17(10-16-8-6-5-7-9-16)26-20(30)14(3)25-19(29)13(2)23-15(4)27/h5-9,12-14,17H,10-11H2,1-4H3,(H,23,27)(H,24,31)(H,25,29)(H,26,30)/t12-,13-,14+,17?/m0/s1
InChIKeyRLGLSFHUJTXNBA-NRMMMPIQSA-N
CompositionPolymer Sequences: ACE-ALA-ALA-PHE-ALA-0QE
BIRD classINHIBITOR
Represented AsPOLYMER
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count60
Chiral Atom Count4
Bond Count60
Aromatic Bond Count6

Related Resource References

Resource NameReference
PubChem 168310880