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

Details

Stereochemistry ABSOLUTE
Molecular Formula C14H17NO5
Molecular Weight 279.289
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

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

SMILES

CC(C)[C@@]([H])(C(=O)O)N=C(/C(/[H])=C(\[H])/c1ccc(c(c1)O)O)O

InChI

InChIKey=FYYRTNDEDHNLLP-BPJJOFIESA-N
InChI=1S/C14H17NO5/c1-8(2)13(14(19)20)15-12(18)6-4-9-3-5-10(16)11(17)7-9/h3-8,13,16-17H,1-2H3,(H,15,18)(H,19,20)/b6-4+/t13-/m0/s1

HIDE SMILES / InChI

Molecular Formula C14H17NO5
Molecular Weight 279.289
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 13:02:44 UTC 2021
Edited
by admin
on Sat Jun 26 13:02:44 UTC 2021
Record UNII
480T2685I8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-(E)-CAFFEOYL-L-VALINE
Common Name English
L-VALINE, N-((2E)-3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)-
Systematic Name English
Code System Code Type Description
CAS
1357599-85-9
Created by admin on Sat Jun 26 13:02:44 UTC 2021 , Edited by admin on Sat Jun 26 13:02:44 UTC 2021
PRIMARY
FDA UNII
480T2685I8
Created by admin on Sat Jun 26 13:02:44 UTC 2021 , Edited by admin on Sat Jun 26 13:02:44 UTC 2021
PRIMARY
PUBCHEM
71655238
Created by admin on Sat Jun 26 13:02:44 UTC 2021 , Edited by admin on Sat Jun 26 13:02:44 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> ACTIVE CONSTITUENT ALWAYS PRESENT
93+-10% Mean adhesion, related to the untreated control) of FITC-labeled H. pylori to AGS cells after 2 h pretreatment with different NPAs (2mM)