PRD_000231

N-acetyl-L-alpha-aspartyl-L-alpha-glutamyl-N-[(1S)-1-(carboxymethyl)-2-oxo-5-phenylpentyl]-L-valinamide

PRD_000231 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 1RHK.

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Chemical Component Summary

NameN-acetyl-L-alpha-aspartyl-L-alpha-glutamyl-N-[(1S)-1-(carboxymethyl)-2-oxo-5-phenylpentyl]-L-valinamide
Identifiers(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-methyl-butanoyl]amino]-4-oxidanylidene-7-phenyl-heptanoic acid
FormulaC29 H40 N4 O11
Molecular Weight620.648
TypePEPTIDE-LIKE
Isomeric SMILESCC(C)[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)CCCc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)C
InChIInChI=1S/C29H40N4O11/c1-16(2)26(29(44)32-20(14-24(38)39)22(35)11-7-10-18-8-5-4-6-9-18)33-27(42)19(12-13-23(36)37)31-28(43)21(15-25(40)41)30-17(3)34/h4-6,8-9,16,19-21,26H,7,10-15H2,1-3H3,(H,30,34)(H,31,43)(H,32,44)(H,33,42)(H,36,37)(H,38,39)(H,40,41)
InChIKeyNHHJXCJHJPGPEF-UHFFFAOYSA-N
CompositionPolymer Sequences: ACE-ASP-GLU-VAL-FPR
BIRD classINHIBITOR
Represented AsPOLYMER
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count84
Chiral Atom Count4
Bond Count84
Aromatic Bond Count6

Related Resource References

Resource NameReference
PubChem 9852052
ChEMBL CHEMBL443565