KAI

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Summary

Name:3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE
Synonyms:KAINATE
Formula:C10 H15 N O4
Formal charge:0
Molecular weight:213.23 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(3S,4S)-3-(carboxymethyl)-4-(1-methylethenyl)-L-proline
OpenEye OEToolkits1.5.0(2S,3S,4S)-3-(carboxymethyl)-4-prop-1-en-2-yl-pyrrolidine-2-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)C1NCC(\C(=C)C)C1CC(=O)O
SMILES_CANONICALCACTVS3.341CC(=C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O
SMILESCACTVS3.341CC(=C)[CH]1CN[CH]([CH]1CC(O)=O)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0CC(=C)[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O
SMILESOpenEye OEToolkits1.5.0CC(=C)C1CNC(C1CC(=O)O)C(=O)O
InChIInChI1.03InChI=1S/C10H15NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h6-7,9,11H,1,3-4H2,2H3,(H,12,13)(H,14,15)/t6-,7+,9-/m0/s1
InChIKeyInChI1.03VLSMHEGGTFMBBZ-OOZYFLPDSA-N