0DS/PRD_000247

N-{(2S)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-L-leucyl-L-phenylalaninamide

0DS/PRD_000247 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 1UMT.

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Chemical Component Summary

NameN-{(2S)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-L-leucyl-L-phenylalaninamide
SynonymsICI U24522
Identifiers(2R)-N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenyl-propan-2-yl]amino]-4-methyl-1-oxo-pentan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide
FormulaC23 H36 N4 O5
Molecular Weight448.556
TypePEPTIDE-LIKE
Isomeric SMILESCC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N
InChIInChI=1S/C23H36N4O5/c1-14(2)10-17(13-20(28)27-32)22(30)26-19(11-15(3)4)23(31)25-18(21(24)29)12-16-8-6-5-7-9-16/h5-9,14-15,17-19,32H,10-13H2,1-4H3,(H2,24,29)(H,25,31)(H,26,30)(H,27,28)/t17-,18+,19+/m1/s1
InChIKeyHLSQLCOADIMQBK-QYZOEREBSA-N
CompositionPolymer Sequences: 2HM-LEU-PHE-NH2
BIRD classINHIBITOR
Represented AsSINGLE MOLECULE
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count68
Chiral Atom Count3
Bond Count68
Aromatic Bond Count6

Related Resource References

Resource NameReference
Pharos CHEMBL93890
PubChem 5496920
ChEMBL CHEMBL93890