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

Details

Stereochemistry ABSOLUTE
Molecular Formula C14H15NO5
Molecular Weight 277.2726
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of METHYL N-FUMARYLPHENYLALANINATE

SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)\C=C\C(O)=O

InChI

InChIKey=INPNITFMOVYAHI-AEZGRPFRSA-N
InChI=1S/C14H15NO5/c1-20-14(19)11(9-10-5-3-2-4-6-10)15-12(16)7-8-13(17)18/h2-8,11H,9H2,1H3,(H,15,16)(H,17,18)/b8-7+/t11-/m0/s1

HIDE SMILES / InChI

Molecular Formula C14H15NO5
Molecular Weight 277.2726
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 Dec 16 01:52:24 GMT 2023
Edited
by admin
on Sat Dec 16 01:52:24 GMT 2023
Record UNII
2GR4CCC2M1
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYL N-FUMARYLPHENYLALANINATE
Common Name English
1-METHYL N-FUMARYLPHENYLALANINATE
Common Name English
1-METHYL-N-FUMARYLPHENYLALANINATE
Common Name English
L-PHENYLALANINE, N-(3-CARBOXY-1-OXO-2-PROPENYL)-, .ALPHA.-METHYL ESTER, (E)-
Systematic Name English
L-PHENYLALANINE, N-((2E)-3-CARBOXY-1-OXO-2-PROPENYL)-, .ALPHA.-METHYL ESTER
Systematic Name English
Code System Code Type Description
FDA UNII
2GR4CCC2M1
Created by admin on Sat Dec 16 01:52:24 GMT 2023 , Edited by admin on Sat Dec 16 01:52:24 GMT 2023
PRIMARY
PUBCHEM
6510260
Created by admin on Sat Dec 16 01:52:24 GMT 2023 , Edited by admin on Sat Dec 16 01:52:24 GMT 2023
PRIMARY
CAS
105469-66-7
Created by admin on Sat Dec 16 01:52:24 GMT 2023 , Edited by admin on Sat Dec 16 01:52:24 GMT 2023
PRIMARY