PRD_000976

N-acetyl-L-valyl-L-alpha-glutamyl-N-[(2S)-1-carboxy-3-oxopropan-2-yl]-L-isoleucinamide

PRD_000976 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 3OD5.

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Chemical Component Summary

NameN-acetyl-L-valyl-L-alpha-glutamyl-N-[(2S)-1-carboxy-3-oxopropan-2-yl]-L-isoleucinamide
Identifiers(4S)-4-[[(2S)-2-acetamido-3-methyl-butanoyl]amino]-5-[[(2S,3S)-3-methyl-1-[[(2S)-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-5-oxidanylidene-pentanoic acid
FormulaC22 H36 N4 O9
Molecular Weight500.543
TypePEPTIDE-LIKE
Isomeric SMILESCC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)O)C=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)C
InChIInChI=1S/C22H36N4O9/c1-6-12(4)19(22(35)24-14(10-27)9-17(31)32)26-20(33)15(7-8-16(29)30)25-21(34)18(11(2)3)23-13(5)28/h10-12,14-15,18-19H,6-9H2,1-5H3,(H,23,28)(H,24,35)(H,25,34)(H,26,33)(H,29,30)(H,31,32)/t12-,14-,15+,18-,19-/m0/s1
InChIKeyKYUFGGNCJRWMDN-DYOXLCOFSA-N
CompositionPolymer Sequences: ACE-VAL-GLU-ILE-ASA
BIRD classINHIBITOR
Represented AsPOLYMER
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count71
Chiral Atom Count5
Bond Count70
Aromatic Bond Count0

Related Resource References

Resource NameReference
PubChem 15487887
ChEMBL CHEMBL478081