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Details

Stereochemistry ABSOLUTE
Molecular Formula C10H11NO4
Molecular Weight 209.1986
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .ALPHA.-METHYL-4-CARBOXYPHENYLGLYCINE, (S)-

SMILES

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

InChI

InChIKey=DNCAZYRLRMTVSF-JTQLQIEISA-N
InChI=1S/C10H11NO4/c1-10(11,9(14)15)7-4-2-6(3-5-7)8(12)13/h2-5H,11H2,1H3,(H,12,13)(H,14,15)/t10-/m0/s1

HIDE SMILES / InChI

Molecular Formula C10H11NO4
Molecular Weight 209.1986
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
155.0 µM [IC50]
340.0 µM [IC50]
270.0 µM [IC50]
Substance Class Chemical
Created
by admin
on Thu Jul 06 17:15:08 UTC 2023
Edited
by admin
on Thu Jul 06 17:15:08 UTC 2023
Record UNII
61F6J48NHR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.ALPHA.-METHYL-4-CARBOXYPHENYLGLYCINE, (S)-
Common Name English
(+)-.ALPHA.-METHYL-4-CARBOXYPHENYLGLYCINE
Systematic Name English
(.ALPHA.S)-.ALPHA.-AMINO-4-CARBOXY-.ALPHA.-METHYLBENZENEACETIC ACID
Systematic Name English
.ALPHA.-METHYL-4-CARBOXYPHENYLGLYCINE, (+)-
Systematic Name English
BENZENEACETIC ACID, .ALPHA.-AMINO-4-CARBOXY-.ALPHA.-METHYL-, (.ALPHA.S)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID2042567
Created by admin on Thu Jul 06 17:15:08 UTC 2023 , Edited by admin on Thu Jul 06 17:15:08 UTC 2023
PRIMARY
CAS
150145-89-4
Created by admin on Thu Jul 06 17:15:08 UTC 2023 , Edited by admin on Thu Jul 06 17:15:08 UTC 2023
PRIMARY
DRUG BANK
DB04256
Created by admin on Thu Jul 06 17:15:08 UTC 2023 , Edited by admin on Thu Jul 06 17:15:08 UTC 2023
PRIMARY
FDA UNII
61F6J48NHR
Created by admin on Thu Jul 06 17:15:08 UTC 2023 , Edited by admin on Thu Jul 06 17:15:08 UTC 2023
PRIMARY
PUBCHEM
446355
Created by admin on Thu Jul 06 17:15:08 UTC 2023 , Edited by admin on Thu Jul 06 17:15:08 UTC 2023
PRIMARY