T9M

?

Summary

Name:N~2~-acetyl-N-prop-2-en-1-yl-D-allothreoninamide
Formula:C9 H16 N2 O3
Formal charge:0
Molecular weight:200.235 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N~2~-acetyl-N-prop-2-en-1-yl-D-allothreoninamide
OpenEye OEToolkits2.0.7(2~{R},3~{R})-2-acetamido-3-oxidanyl-~{N}-prop-2-enyl-butanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01N(C(C)=O)C(C(=O)NC\C=C)C(C)O
InChIInChI1.03InChI=1S/C9H16N2O3/c1-4-5-10-9(14)8(6(2)12)11-7(3)13/h4,6,8,12H,1,5H2,2-3H3,(H,10,14)(H,11,13)/t6-,8+/m0/s1
InChIKeyInChI1.03STYVOOMPCLDYII-POYBYMJQSA-N
SMILES_CANONICALCACTVS3.385C[C@@H](O)[C@@H](NC(C)=O)C(=O)NCC=C
SMILESCACTVS3.385C[CH](O)[CH](NC(C)=O)C(=O)NCC=C
SMILES_CANONICALOpenEye OEToolkits2.0.7C[C@H]([C@H](C(=O)NCC=C)NC(=O)C)O
SMILESOpenEye OEToolkits2.0.7CC(C(C(=O)NCC=C)NC(=O)C)O
170172
PDB entries from 2020-10-21