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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H13NO6
Molecular Weight 279.2454
Optical Activity ( - )
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of N-(E)-M-COUMAROYL-L-ASPARTIC ACID

SMILES

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

InChI

InChIKey=LBHTXBYXDUEHBQ-YEZKRMTDSA-N
InChI=1S/C13H13NO6/c15-9-3-1-2-8(6-9)4-5-11(16)14-10(13(19)20)7-12(17)18/h1-6,10,15H,7H2,(H,14,16)(H,17,18)(H,19,20)/b5-4+/t10-/m0/s1

HIDE SMILES / InChI

Molecular Formula C13H13NO6
Molecular Weight 279.2454
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 16:06:15 UTC 2023
Edited
by admin
on Fri Dec 15 16:06:15 UTC 2023
Record UNII
NSE5JNQ868
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-(E)-M-COUMAROYL-L-ASPARTIC ACID
Common Name English
L-ASPARTIC ACID, N-((2E)-3-(3-HYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)-
Systematic Name English
N-((2E)-3-(3-HYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)-L-ASPARTIC ACID
Systematic Name English
Code System Code Type Description
PUBCHEM
145984012
Created by admin on Fri Dec 15 16:06:15 UTC 2023 , Edited by admin on Fri Dec 15 16:06:15 UTC 2023
PRIMARY
CAS
1357599-79-1
Created by admin on Fri Dec 15 16:06:15 UTC 2023 , Edited by admin on Fri Dec 15 16:06:15 UTC 2023
PRIMARY
FDA UNII
NSE5JNQ868
Created by admin on Fri Dec 15 16:06:15 UTC 2023 , Edited by admin on Fri Dec 15 16:06:15 UTC 2023
PRIMARY
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