PRD_000301

N-(2-oxoethyl)-L-isoleucyl-L-alpha-glutamyl-N-[(1R)-2-carboxy-1-formylethyl]-L-threoninamide

PRD_000301 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 1QTN.

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Chemical Component Summary

NameN-(2-oxoethyl)-L-isoleucyl-L-alpha-glutamyl-N-[(1R)-2-carboxy-1-formylethyl]-L-threoninamide
Identifiers(4S)-4-[[(2S,3S)-2-acetamido-3-methyl-pentanoyl]amino]-5-[[(2S,3R)-1-[[(2S)-1,4-bis(oxidanyl)-4-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-5-oxidanylidene-pentanoic acid
FormulaC21 H36 N4 O10
Molecular Weight504.531
TypePEPTIDE-LIKE
Isomeric SMILESCC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)O)CO)NC(=O)C
InChIInChI=1S/C21H36N4O10/c1-5-10(2)17(22-12(4)28)20(34)24-14(6-7-15(29)30)19(33)25-18(11(3)27)21(35)23-13(9-26)8-16(31)32/h10-11,13-14,17-18,26-27H,5-9H2,1-4H3,(H,22,28)(H,23,35)(H,24,34)(H,25,33)(H,29,30)(H,31,32)
InChIKeyUKJANCPUSFCDHJ-UHFFFAOYSA-N
CompositionPolymer Sequences: ACE-ILE-GLU-THR-ASJ
BIRD classINHIBITOR
Represented AsPOLYMER
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count71
Chiral Atom Count6
Bond Count70
Aromatic Bond Count0