Chemical Component Summary

NameAmastatin
Identifiers(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-3-azanyl-5-methyl-2-oxidanyl-hexanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]butanedioic acid
FormulaC21 H38 N4 O8
Molecular Weight474.548
TypePEPTIDE-LIKE
Isomeric SMILESCC(C)C[C@H]([C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)O)O)N
InChIInChI=1S/C21H38N4O8/c1-9(2)7-12(22)17(28)20(31)25-16(11(5)6)19(30)24-15(10(3)4)18(29)23-13(21(32)33)8-14(26)27/h9-13,15-17,28H,7-8,22H2,1-6H3,(H,23,29)(H,24,30)(H,25,31)(H,26,27)(H,32,33)
InChIKeyQFAADIRHLBXJJS-UHFFFAOYSA-N
CompositionPolymer Sequences: L2O-VAL-VAL-ASP
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
Pharos CHEMBL28650
PubChem 439518
ChEMBL CHEMBL28650
ChEBI CHEBI:2624