(Q27273958)

UNII-AJE3N72YTX (English)

(2R)-2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]butanedioic acid

14 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChIKey

chemical formula

C₁₃H₁₃NO₆

1 reference

UNII-AJE3N72YTX (English)

14 October 2016

canonical SMILES

C1=CC(=CC=C1C=CC(=O)NC(CC(=O)O)C(=O)O)O

1 reference

UNII-AJE3N72YTX (English)

14 October 2016

isomeric SMILES

C1=CC(=CC=C1/C=C/C(=O)N[C@@H](CC(=O)O)C(=O)O)O

1 reference

Isolation, structure determination, synthesis, and sensory activity of N-phenylpropenoyl-L-amino acids from cocoa (Theobroma cacao).

UNII-AJE3N72YTX (English)

14 October 2016

1 reference

Identifiers

InChI

InChI=1S/C13H13NO6/c15-9-4-1-8(2-5-9)3-6-11(16)14-10(13(19)20)7-12(17)18/h1-6,10,15H,7H2,(H,14,16)(H,17,18)(H,19,20)/b6-3+/t10-/m0/s1

1 reference

UNII-AJE3N72YTX (English)

14 October 2016

1 reference

Global Substance Registration System

UNII-AJE3N72YTX (English)

14 October 2016

1 reference

UNII

AJE3N72YTX

N-coumaroyl-L-aspartic acid (English)

14 October 2016

1 reference

N-[(2E)-3-(4-Hydroxyphenyl)-2-propenoyl]-L-aspartic acid (English)

14 October 2016

2 references

UNII-AJE3N72YTX (English)

matched by identifier from

14 October 2016

splash10-053s-0170090000-a04f33f9527a92c282cd

1 reference

0 references

DSSTox substance ID

DTXSID701347636

1 reference

matched by identifier from

Global Substance Registration System

UNII

AJE3N72YTX

2 references

stated in

UNII

AJE3N72YTX

N-coumaroyl-L-aspartic acid (English)

matched by identifier from

14 October 2016