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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H15N2O4.Na
Molecular Weight 286.259
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SODIUM PHENYLACETYLISOGLUTAMINATE

SMILES

[Na+].NC(=O)[C@H](CCC([O-])=O)NC(=O)CC1=CC=CC=C1

InChI

InChIKey=DTOWEMWBLNFCCM-PPHPATTJSA-M
InChI=1S/C13H16N2O4.Na/c14-13(19)10(6-7-12(17)18)15-11(16)8-9-4-2-1-3-5-9;/h1-5,10H,6-8H2,(H2,14,19)(H,15,16)(H,17,18);/q;+1/p-1/t10-;/m0./s1

HIDE SMILES / InChI

Molecular Formula C13H15N2O4
Molecular Weight 263.2692
Charge -1
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:33:43 GMT 2023
Edited
by admin
on Fri Dec 15 15:33:43 GMT 2023
Record UNII
I6UNUIAVSE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SODIUM PHENYLACETYLISOGLUTAMINATE
Systematic Name English
PENTANOIC ACID, 5-AMINO-5-OXO-4-((PHENYLACETYL)AMINO)-, MONOSODIUM SALT, (4S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
23678918
Created by admin on Fri Dec 15 15:33:43 GMT 2023 , Edited by admin on Fri Dec 15 15:33:43 GMT 2023
PRIMARY
CAS
128932-51-4
Created by admin on Fri Dec 15 15:33:43 GMT 2023 , Edited by admin on Fri Dec 15 15:33:43 GMT 2023
PRIMARY
EPA CompTox
DTXSID701021765
Created by admin on Fri Dec 15 15:33:43 GMT 2023 , Edited by admin on Fri Dec 15 15:33:43 GMT 2023
PRIMARY
FDA UNII
I6UNUIAVSE
Created by admin on Fri Dec 15 15:33:43 GMT 2023 , Edited by admin on Fri Dec 15 15:33:43 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE