Chemical Component Summary

NameAc-Asp-Glu-Val-Akz-CMK
Identifiers(4S)-4-[[(2S)-2-acetamido-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-5-[[(2S)-1-[[(3S)-5-chloranyl-1,4-bis(oxidanyl)-1-oxidanylidene-pentan-3-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-5-oxidanylidene-pentanoic acid
FormulaC21 H33 Cl N4 O11
Molecular Weight552.96
TypePEPTIDE-LIKE
Isomeric SMILESCC(C)[C@@H](C(=O)N[C@@H](CC(=O)O)C(CCl)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)C
InChIInChI=1S/C21H33ClN4O11/c1-9(2)18(21(37)25-12(6-16(31)32)14(28)8-22)26-19(35)11(4-5-15(29)30)24-20(36)13(7-17(33)34)23-10(3)27/h9,11-14,18,28H,4-8H2,1-3H3,(H,23,27)(H,24,36)(H,25,37)(H,26,35)(H,29,30)(H,31,32)(H,33,34)/t11?,12-,13+,14-,18+/m1/s1
InChIKeySHEGYZHNMSOJBK-DJQDYWCJSA-N
CompositionPolymer Sequences: ACE-ASP-GLU-VAL-AKZ-0QE
BIRD classINHIBITOR
Represented AsPOLYMER
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count70
Chiral Atom Count4
Bond Count69
Aromatic Bond Count0

Related Resource References

Resource NameReference
PubChem 132275091