S89/PRD_001114

N-[(2S)-1-HYDROXY-3-PHENYLPROPAN-2-YL]-NALPHA-[(2E)-3-PHENYLPROP-2-ENOYL]-L-PHENYLALANINAMIDE

S89/PRD_001114 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 3SN8.

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Chemical Component Summary

NameN-[(2S)-1-HYDROXY-3-PHENYLPROPAN-2-YL]-NALPHA-[(2E)-3-PHENYLPROP-2-ENOYL]-L-PHENYLALANINAMIDE
Identifiers(2S)-N-[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
FormulaC27 H28 N2 O3
Molecular Weight428.523
TypePEPTIDE-LIKE
Isomeric SMILESc1ccc(cc1)C[C@@H](CO)NC(=O)[C@H](Cc2ccccc2)NC(=O)/C=C/c3ccccc3
InChIInChI=1S/C27H28N2O3/c30-20-24(18-22-12-6-2-7-13-22)28-27(32)25(19-23-14-8-3-9-15-23)29-26(31)17-16-21-10-4-1-5-11-21/h1-17,24-25,30H,18-20H2,(H,28,32)(H,29,31)/b17-16+/t24-,25-/m0/s1
InChIKeyGEVQDXBVGFGWFA-KQRRRSJSSA-N
CompositionPolymer Sequences: TCA-PHE-PHL
BIRD classENZYME INHIBITOR
Represented AsSINGLE MOLECULE
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count60
Chiral Atom Count2
Bond Count62
Aromatic Bond Count18

Related Resource References

Resource NameReference
PubChem 137349985