UDL

(2~{S},3~{R})-2-acetamido-4-methyl-3-oxidanyl-pentanoic acid

Created:2023-09-04
Last modified:  2025-03-19

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Chemical Details

Formal Charge0
Atom Count28
Chiral Atom Count2
Bond Count27
Aromatic Bond Count0
2D diagram of UDL

Chemical Component Summary

Name(2~{S},3~{R})-2-acetamido-4-methyl-3-oxidanyl-pentanoic acid
Systematic Name (OpenEye OEToolkits)(2~{S},3~{R})-2-acetamido-4-methyl-3-oxidanyl-pentanoic acid
FormulaC8 H15 N O4
Molecular Weight189.209
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385CC(C)[CH](O)[CH](NC(C)=O)C(O)=O
SMILESOpenEye OEToolkits2.0.7CC(C)C(C(C(=O)O)NC(=O)C)O
Canonical SMILESCACTVS3.385 CC(C)[C@@H](O)[C@H](NC(C)=O)C(O)=O
Canonical SMILESOpenEye OEToolkits2.0.7 CC(C)[C@H]([C@@H](C(=O)O)NC(=O)C)O
InChIInChI1.06 InChI=1S/C8H15NO4/c1-4(2)7(11)6(8(12)13)9-5(3)10/h4,6-7,11H,1-3H3,(H,9,10)(H,12,13)/t6-,7+/m0/s1
InChIKeyInChI1.06 GIDOPHKISCKMBN-NKWVEPMBSA-N

Related Resource References

Resource NameReference
PubChem 138491444