U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C12H13NO5
Molecular Weight 251.2353
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of N-(E)-CAFFEOYL-L-ALANINE

SMILES

C[C@H](NC(=O)\C=C\C1=CC(O)=C(O)C=C1)C(O)=O

InChI

InChIKey=HTRLGQVZCDCTDC-MZTFZBDOSA-N
InChI=1S/C12H13NO5/c1-7(12(17)18)13-11(16)5-3-8-2-4-9(14)10(15)6-8/h2-7,14-15H,1H3,(H,13,16)(H,17,18)/b5-3+/t7-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
N-(E)-CAFFEOYL-L-ALANINE
Common Name English
L-ALANINE, N-((2E)-3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)-
Systematic Name English
Code System Code Type Description
PUBCHEM
23659398
Created by admin on Sat Dec 16 10:56:35 GMT 2023 , Edited by admin on Sat Dec 16 10:56:35 GMT 2023
PRIMARY
CAS
959927-45-8
Created by admin on Sat Dec 16 10:56:35 GMT 2023 , Edited by admin on Sat Dec 16 10:56:35 GMT 2023
PRIMARY
FDA UNII
1DRC6F41AH
Created by admin on Sat Dec 16 10:56:35 GMT 2023 , Edited by admin on Sat Dec 16 10:56:35 GMT 2023
PRIMARY