PRD_000406

ACE-IPA-GLU-GLU-ILE

PRD_000406 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 1BHF.

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Chemical Component Summary

NameACE-IPA-GLU-GLU-ILE
Identifiers(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-[4-(2-hydroxy-2-oxoethyl)phenyl]propanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-methyl-pentanoic acid
FormulaC29 H40 N4 O12
Molecular Weight636.647
TypePEPTIDE-LIKE
Isomeric SMILESCC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(cc1)CC(=O)O)NC(=O)C
InChIInChI=1S/C29H40N4O12/c1-4-15(2)25(29(44)45)33-27(42)20(10-12-23(37)38)31-26(41)19(9-11-22(35)36)32-28(43)21(30-16(3)34)13-17-5-7-18(8-6-17)14-24(39)40/h5-8,15,19-21,25H,4,9-14H2,1-3H3,(H,30,34)(H,31,41)(H,32,43)(H,33,42)(H,35,36)(H,37,38)(H,39,40)(H,44,45)/t15?,19-,20+,21+,25-/m0/s1
InChIKeyVGUWABWDFSPZNX-HEWZQQLYSA-N
CompositionPolymer Sequences: ACE-1PA-GLU-GLU-ILE
BIRD classINHIBITOR
Represented AsPOLYMER
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count85
Chiral Atom Count5
Bond Count85
Aromatic Bond Count6

Related Resource References

Resource NameReference
PubChem 444560
ChEMBL CHEMBL1790311