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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H16BNO6
Molecular Weight 293.08
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(((3S)-3-((ACETYLAMINO)METHYL)-1,3-DIHYDRO-1-HYDROXY-2,1-BENZOXABOROL-7-YL)OXY)PROPANOIC ACID

SMILES

CC(=O)NC[C@H]1OB(O)C2=C1C=CC=C2OCCC(O)=O

InChI

InChIKey=IECQEDZZJUTCHL-LLVKDONJSA-N
InChI=1S/C13H16BNO6/c1-8(16)15-7-11-9-3-2-4-10(13(9)14(19)21-11)20-6-5-12(17)18/h2-4,11,19H,5-7H2,1H3,(H,15,16)(H,17,18)/t11-/m1/s1

HIDE SMILES / InChI

Molecular Formula C13H16BNO6
Molecular Weight 293.08
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 16:00:45 GMT 2023
Edited
by admin
on Sat Dec 16 16:00:45 GMT 2023
Record UNII
P11O47TC0V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(((3S)-3-((ACETYLAMINO)METHYL)-1,3-DIHYDRO-1-HYDROXY-2,1-BENZOXABOROL-7-YL)OXY)PROPANOIC ACID
Systematic Name English
PROPANOIC ACID, 3-(((3S)-3-((ACETYLAMINO)METHYL)-1,3-DIHYDRO-1-HYDROXY-2,1-BENZOXABOROL-7-YL)OXY)-
Systematic Name English
GSK2251052 METABOLITE M7
Common Name English
Code System Code Type Description
FDA UNII
P11O47TC0V
Created by admin on Sat Dec 16 16:00:45 GMT 2023 , Edited by admin on Sat Dec 16 16:00:45 GMT 2023
PRIMARY
CAS
1554418-28-8
Created by admin on Sat Dec 16 16:00:45 GMT 2023 , Edited by admin on Sat Dec 16 16:00:45 GMT 2023
PRIMARY
PUBCHEM
118753287
Created by admin on Sat Dec 16 16:00:45 GMT 2023 , Edited by admin on Sat Dec 16 16:00:45 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
URINE