PRD_000423

N-acetyl-L-leucyl-L-alanyl-N-[(1S)-4-(dimethylamino)-1-(fluoroacetyl)-4-oxobutyl]-L-alaninamide

PRD_000423 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 2H6M.

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Chemical Component Summary

NameN-acetyl-L-leucyl-L-alanyl-N-[(1S)-4-(dimethylamino)-1-(fluoroacetyl)-4-oxobutyl]-L-alaninamide
Identifiers(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-4-methyl-pentanoyl]amino]propanoyl]amino]propanoyl]amino]-6-fluoranyl-N,N-dimethyl-5-oxidanylidene-hexanamide
FormulaC22 H38 F N5 O6
Molecular Weight487.565
TypePEPTIDE-LIKE
Isomeric SMILESC[C@@H](C(=O)N[C@@H](CCC(=O)N(C)C)C(=O)CF)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C
InChIInChI=1S/C22H38FN5O6/c1-12(2)10-17(26-15(5)29)22(34)25-13(3)20(32)24-14(4)21(33)27-16(18(30)11-23)8-9-19(31)28(6)7/h12-14,16-17H,8-11H2,1-7H3,(H,24,32)(H,25,34)(H,26,29)(H,27,33)/t13-,14-,16-,17+/m0/s1
InChIKeyXYEKJHZTPIFPEE-NXNVCVFFSA-N
CompositionPolymer Sequences: ACE-LEU-ALA-ALA-QMM-CF0
BIRD classINHIBITOR
Represented AsPOLYMER
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count72
Chiral Atom Count4
Bond Count71
Aromatic Bond Count0

Related Resource References

Resource NameReference
PubChem 5742819