PRD_001052

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

PRD_001052 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 3R7B.

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Chemical Component Summary

NameN-acetyl-L-alpha-aspartyl-L-valyl-N-[(2S)-1-carboxy-3-oxopropan-2-yl]-L-alaninamide
Identifiers(3S)-3-acetamido-4-[[(2S)-3-methyl-1-[[(2S)-1-[[(2S)-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butanoic acid
FormulaC18 H28 N4 O9
Molecular Weight444.436
TypePEPTIDE-LIKE
Isomeric SMILESC[C@@H](C(=O)N[C@@H](CC(=O)O)C=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)C
InChIInChI=1S/C18H28N4O9/c1-8(2)15(22-17(30)12(6-14(27)28)20-10(4)24)18(31)19-9(3)16(29)21-11(7-23)5-13(25)26/h7-9,11-12,15H,5-6H2,1-4H3,(H,19,31)(H,20,24)(H,21,29)(H,22,30)(H,25,26)(H,27,28)/t9-,11-,12-,15+/m0/s1
InChIKeyNRKBWFNLOVIVDJ-AVNXNWIJSA-N
CompositionPolymer Sequences: ACE-ASP-VAL-ALA-ASA
BIRD classINHIBITOR
Represented AsPOLYMER
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count59
Chiral Atom Count4
Bond Count58
Aromatic Bond Count0

Related Resource References

Resource NameReference
PubChem 53339020