PRD_001013

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

PRD_001013 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 3R5J.

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Chemical Component Summary

NameN-acetyl-L-alanyl-L-alpha-aspartyl-L-valyl-N-[(2R)-1-carboxy-3-oxopropan-2-yl]-L-alaninamide
Identifiers(3S)-3-[[(2S)-2-acetamidopropanoyl]amino]-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
FormulaC21 H33 N5 O10
Molecular Weight515.514
TypePEPTIDE-LIKE
Isomeric SMILESC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C=O)NC(=O)C
InChIInChI=1S/C21H33N5O10/c1-9(2)17(21(36)23-11(4)18(33)24-13(8-27)6-15(29)30)26-20(35)14(7-16(31)32)25-19(34)10(3)22-12(5)28/h8-11,13-14,17H,6-7H2,1-5H3,(H,22,28)(H,23,36)(H,24,33)(H,25,34)(H,26,35)(H,29,30)(H,31,32)/t10-,11-,13+,14-,17+/m0/s1
InChIKeySXUGDAZTOIOCRA-NXWHILTBSA-N
CompositionPolymer Sequences: ACE-ALA-ASP-VAL-ALA-ASA
BIRD classINHIBITOR
Represented AsPOLYMER
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count69
Chiral Atom Count5
Bond Count68
Aromatic Bond Count0

Related Resource References

Resource NameReference
PubChem 53339019