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Details

Stereochemistry ABSOLUTE
Molecular Formula C10H11NO3
Molecular Weight 193.1992
Optical Activity ( + )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Amino-4-oxo-4-phenylbutanoic acid, (2S)-

SMILES

N[C@@H](CC(=O)C1=CC=CC=C1)C(O)=O

InChI

InChIKey=QXRCVKLRAOSZCP-QMMMGPOBSA-N
InChI=1S/C10H11NO3/c11-8(10(13)14)6-9(12)7-4-2-1-3-5-7/h1-5,8H,6,11H2,(H,13,14)/t8-/m0/s1

HIDE SMILES / InChI

Molecular Formula C10H11NO3
Molecular Weight 193.1992
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 Wed Apr 02 17:09:16 GMT 2025
Edited
by admin
on Wed Apr 02 17:09:16 GMT 2025
Record UNII
YZ3X34327G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FCE-28468
Preferred Name English
2-Amino-4-oxo-4-phenylbutanoic acid, (2S)-
Systematic Name English
Benzenebutanoic acid, ?-amino-?-oxo-, (?S)-
Systematic Name English
(2S)-2-Amino-4-oxo-4-phenylbutanoic acid
Systematic Name English
(?S)-?-Amino-?-oxobenzenebutanoic acid
Systematic Name English
Code System Code Type Description
PUBCHEM
10888792
Created by admin on Wed Apr 02 17:09:16 GMT 2025 , Edited by admin on Wed Apr 02 17:09:16 GMT 2025
PRIMARY
FDA UNII
YZ3X34327G
Created by admin on Wed Apr 02 17:09:16 GMT 2025 , Edited by admin on Wed Apr 02 17:09:16 GMT 2025
PRIMARY
CAS
119817-54-8
Created by admin on Wed Apr 02 17:09:16 GMT 2025 , Edited by admin on Wed Apr 02 17:09:16 GMT 2025
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
ENANTIOMER -> ENANTIOMER
RACEMATE -> ENANTIOMER