PRD_000259

N-acetyl-L-tryptophyl-L-alpha-glutamyl-N-[(1R)-2-carboxy-1-formylethyl]-3-(1H-imidazol-3-ium-4-yl)-L-alaninamide

PRD_000259 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 2QLJ.

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Chemical Component Summary

NameN-acetyl-L-tryptophyl-L-alpha-glutamyl-N-[(1R)-2-carboxy-1-formylethyl]-3-(1H-imidazol-3-ium-4-yl)-L-alaninamide
Identifiers(4S)-4-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-5-[[(2S)-1-[[(2S)-1,4-bis(oxidanyl)-4-oxidanylidene-butan-2-yl]amino]-3-(1H-imidazol-3-ium-4-yl)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid
FormulaC28 H36 N7 O9
Molecular Weight614.627
TypePEPTIDE-LIKE
Isomeric SMILESCC(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc3c[nH]c[nH+]3)C(=O)N[C@@H](CC(=O)O)CO
InChIInChI=1S/C28H35N7O9/c1-15(37)32-22(8-16-11-30-20-5-3-2-4-19(16)20)28(44)34-21(6-7-24(38)39)26(42)35-23(9-17-12-29-14-31-17)27(43)33-18(13-36)10-25(40)41/h2-5,11-12,14,18,21-23,30,36H,6-10,13H2,1H3,(H,29,31)(H,32,37)(H,33,43)(H,34,44)(H,35,42)(H,38,39)(H,40,41)/p+1
InChIKeyMMWLSMCDYWODRU-UHFFFAOYSA-O
CompositionPolymer Sequences: ACE-TRP-GLU-HIS-ASJ
BIRD classINHIBITOR
Represented AsPOLYMER
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count80
Chiral Atom Count4
Bond Count82
Aromatic Bond Count15