ABA

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Summary

Name:ALPHA-AMINOBUTYRIC ACID
Formula:C4 H9 N O2
Formal charge:0
Molecular weight:103.12 Da
Component type:L-PEPTIDE LINKING

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2S)-2-aminobutanoic acid
OpenEye OEToolkits1.7.6(2S)-2-azanylbutanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)C(N)CC
InChIInChI1.03InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1
InChIKeyInChI1.03QWCKQJZIFLGMSD-VKHMYHEASA-N
SMILES_CANONICALCACTVS3.385CC[C@H](N)C(O)=O
SMILESCACTVS3.385CC[CH](N)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.6CC[C@@H](C(=O)O)N
SMILESOpenEye OEToolkits1.7.6CCC(C(=O)O)N
170172
PDB entries from 2020-10-21