E22/PRD_002211

(2~{S})-~{N}-[(1~{R},2~{S})-1-cyano-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-3-phenyl-2-[[(~{E})-3-phenylprop-2-enoyl]amino]propanamide

E22/PRD_002211 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 5BPE.

Find entries where PRD_002211 is present


Toggle HydrogenToggle Labels

Chemical Component Summary

Name(2~{S})-~{N}-[(1~{R},2~{S})-1-cyano-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-3-phenyl-2-[[(~{E})-3-phenylprop-2-enoyl]amino]propanamide
Identifiers(2~{S})-~{N}-[(1~{R},2~{S})-1-cyano-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-3-phenyl-2-[[(~{E})-3-phenylprop-2-enoyl]amino]propanamide
FormulaC27 H30 N4 O4
Molecular Weight474.552
TypeNON-POLYMER
Isomeric SMILESc1ccc(cc1)C[C@@H](C(=O)N[C@@H](C[C@@H]2CCCNC2=O)[C@H](C#N)O)NC(=O)/C=C/c3ccccc3
InChIInChI=1S/C27H30N4O4/c28-18-24(32)22(17-21-12-7-15-29-26(21)34)31-27(35)23(16-20-10-5-2-6-11-20)30-25(33)14-13-19-8-3-1-4-9-19/h1-6,8-11,13-14,21-24,32H,7,12,15-17H2,(H,29,34)(H,30,33)(H,31,35)/b14-13+/t21-,22-,23-,24-/m0/s1
InChIKeyUJFNOZFDUMAJFU-XSAZPJIKSA-N
CompositionPolymer Sequences: TCA-PHE-4UG
BIRD classENZYME INHIBITOR
Represented AsSINGLE MOLECULE
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count65
Chiral Atom Count4
Bond Count67
Aromatic Bond Count12

Related Resource References

Resource NameReference
PubChem 137349222