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

Details

Stereochemistry ABSOLUTE
Molecular Formula C13H13N3O5
Molecular Weight 291.2594
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-Amino-γ-(aminocarbonyl)-1,3-dihydro-1,3-dioxo-2H-isoindole-2-butanoic acid, (γS)-

SMILES

NC(=O)[C@H](CCC(O)=O)N1C(=O)C2=CC=CC(N)=C2C1=O

InChI

InChIKey=JVYMXRZSOURPSE-QMMMGPOBSA-N
InChI=1S/C13H13N3O5/c14-7-3-1-2-6-10(7)13(21)16(12(6)20)8(11(15)19)4-5-9(17)18/h1-3,8H,4-5,14H2,(H2,15,19)(H,17,18)/t8-/m0/s1

HIDE SMILES / InChI

Molecular Formula C13H13N3O5
Molecular Weight 291.2594
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:47:03 GMT 2023
Edited
by admin
on Sat Dec 16 19:47:03 GMT 2023
Record UNII
U8CC9XSD45
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-Amino-γ-(aminocarbonyl)-1,3-dihydro-1,3-dioxo-2H-isoindole-2-butanoic acid, (γS)-
Systematic Name English
2H-Isoindole-2-butanoic acid, 4-amino-γ-(aminocarbonyl)-1,3-dihydro-1,3-dioxo-, (γS)-
Systematic Name English
2H-Isoindole-2-butanoic acid 4-amino-γ-(aminocarbonyl)-1,3-dihydro-1,3-dioxo-, (γS)-
Systematic Name English
(γS)-4-Amino-γ-(aminocarbonyl)-1,3-dihydro-1,3-dioxo-2H-isoindole-2-butanoic acid
Systematic Name English
Code System Code Type Description
PUBCHEM
67347389
Created by admin on Sat Dec 16 19:47:03 GMT 2023 , Edited by admin on Sat Dec 16 19:47:03 GMT 2023
PRIMARY
FDA UNII
U8CC9XSD45
Created by admin on Sat Dec 16 19:47:03 GMT 2023 , Edited by admin on Sat Dec 16 19:47:03 GMT 2023
PRIMARY
CAS
918314-44-0
Created by admin on Sat Dec 16 19:47:03 GMT 2023 , Edited by admin on Sat Dec 16 19:47:03 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER