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Details

Stereochemistry ACHIRAL
Molecular Formula C12H13NO5
Molecular Weight 251.2358
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

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

SMILES

c1cc(c(cc1/C(/[H])=C(\[H])/C(=NCCC(=O)O)O)O)O

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

Molecular Formula C12H13NO5
Molecular Weight 251.2358
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 00:43:02 UTC 2021
Edited
by admin
on Sat Jun 26 00:43:02 UTC 2021
Record UNII
8ZM79N446A
Record Status Validated (UNII)
Record Version
  • Download
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 Jun 26 00:43:02 UTC 2021 , Edited by admin on Sat Jun 26 00:43:02 UTC 2021
PRIMARY
CAS
675833-41-7
Created by admin on Sat Jun 26 00:43:02 UTC 2021 , Edited by admin on Sat Jun 26 00:43:02 UTC 2021
PRIMARY
FDA UNII
8ZM79N446A
Created by admin on Sat Jun 26 00:43:02 UTC 2021 , Edited by admin on Sat Jun 26 00:43:02 UTC 2021
PRIMARY
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