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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H13NO5
Molecular Weight 251.2353
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of N-CAFFEOYL-.BETA.-ALANINE

SMILES

OC(=O)CCNC(=O)\C=C\C1=CC(O)=C(O)C=C1

InChI

InChIKey=WPBOFJOMOJATDP-DUXPYHPUSA-N
InChI=1S/C12H13NO5/c14-9-3-1-8(7-10(9)15)2-4-11(16)13-6-5-12(17)18/h1-4,7,14-15H,5-6H2,(H,13,16)(H,17,18)/b4-2+

HIDE SMILES / InChI

Approval Year

Name Type Language
N-CAFFEOYL-.BETA.-ALANINE
Common Name English
N-(E)-CAFFEOYL-.BETA.-ALANINE
Common Name English
.BETA.-ALANINE, N-((2E)-3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)-
Systematic Name English
.BETA.-ALANINE, N-((2E)-3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPENYL)-
Systematic Name English
Code System Code Type Description
PUBCHEM
73353492
Created by admin on Sat Dec 16 11:19:50 GMT 2023 , Edited by admin on Sat Dec 16 11:19:50 GMT 2023
PRIMARY
CAS
675833-41-7
Created by admin on Sat Dec 16 11:19:50 GMT 2023 , Edited by admin on Sat Dec 16 11:19:50 GMT 2023
PRIMARY
FDA UNII
8ZM79N446A
Created by admin on Sat Dec 16 11:19:50 GMT 2023 , Edited by admin on Sat Dec 16 11:19:50 GMT 2023
PRIMARY