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

Details

Stereochemistry ABSOLUTE
Molecular Formula C13H13NO5
Molecular Weight 263.246
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 2-((2E)-3-PHENYLPROP-2-ENAMIDO)BUTANEDIOIC ACID, (2S)-

SMILES

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

InChI

InChIKey=DAHASNDSDHUIRW-FGEFZZPRSA-N
InChI=1S/C13H13NO5/c15-11(7-6-9-4-2-1-3-5-9)14-10(13(18)19)8-12(16)17/h1-7,10H,8H2,(H,14,15)(H,16,17)(H,18,19)/b7-6+/t10-/m0/s1

HIDE SMILES / InChI

Molecular Formula C13H13NO5
Molecular Weight 263.246
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 Fri Dec 15 16:22:22 GMT 2023
Edited
by admin
on Fri Dec 15 16:22:22 GMT 2023
Record UNII
HNQ27BYM86
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-((2E)-3-PHENYLPROP-2-ENAMIDO)BUTANEDIOIC ACID, (2S)-
Systematic Name English
L-ASPARTIC ACID, N-((2E)-1-OXO-3-PHENYL-2-PROPEN-1-YL)-
Systematic Name English
L-ASPARTIC ACID, N-((2E)-1-OXO-3-PHENYL-2-PROPENYL)-
Systematic Name English
(2S)-2-(((E)-3-PHENYLPROP-2-ENOYL)AMINO)BUTANEDIOIC ACID
Systematic Name English
L-ASPARTIC ACID, N-(1-OXO-3-PHENYL-2-PROPEN-1-YL)-
Systematic Name English
2-CINNAMAMIDOSUCCINIC ACID
Common Name English
N-(1-OXO-3-PHENYL-2-PROPEN-1-YL)-L-ASPARTIC ACID
Systematic Name English
N-(E)-CINNAMOYL-L-ASPARTIC ACID
Common Name English
Code System Code Type Description
FDA UNII
HNQ27BYM86
Created by admin on Fri Dec 15 16:22:22 GMT 2023 , Edited by admin on Fri Dec 15 16:22:22 GMT 2023
PRIMARY
CAS
906091-97-2
Created by admin on Fri Dec 15 16:22:22 GMT 2023 , Edited by admin on Fri Dec 15 16:22:22 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
CAS
860295-30-3
Created by admin on Fri Dec 15 16:22:22 GMT 2023 , Edited by admin on Fri Dec 15 16:22:22 GMT 2023
PRIMARY
PUBCHEM
68534207
Created by admin on Fri Dec 15 16:22:22 GMT 2023 , Edited by admin on Fri Dec 15 16:22:22 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT
100+-8% Mean adhesion, related to the untreated control) of FITC-labeled H. pylori to AGS cells after 2 h pretreatment with different NPAs (2mM)