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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H22N4O4
Molecular Weight 418.4452
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PR-101988

SMILES

CC(C)OC1=C(C=C(C=C1)C2=NC(=NO2)C3=C4CC[C@H](NCC(O)=O)C4=CC=C3)C#N

InChI

InChIKey=HICWSCLKDYAXPD-IBGZPJMESA-N
InChI=1S/C23H22N4O4/c1-13(2)30-20-9-6-14(10-15(20)11-24)23-26-22(27-31-23)18-5-3-4-17-16(18)7-8-19(17)25-12-21(28)29/h3-6,9-10,13,19,25H,7-8,12H2,1-2H3,(H,28,29)/t19-/m0/s1

HIDE SMILES / InChI

Molecular Formula C23H22N4O4
Molecular Weight 418.4452
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 16:34:16 GMT 2023
Edited
by admin
on Sat Dec 16 16:34:16 GMT 2023
Record UNII
Q1B2AF6KP8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PR-101988
Code English
2-(((1S)-4-(5-(3-CYANO-4-ISOPROPOXY-PHENYL)-1,2,4-OXADIAZOL-3-YL)INDAN-1-YL)AMINO)ACETIC ACID
Systematic Name English
PR101988
Code English
Code System Code Type Description
FDA UNII
Q1B2AF6KP8
Created by admin on Sat Dec 16 16:34:16 GMT 2023 , Edited by admin on Sat Dec 16 16:34:16 GMT 2023
PRIMARY
PUBCHEM
142470694
Created by admin on Sat Dec 16 16:34:16 GMT 2023 , Edited by admin on Sat Dec 16 16:34:16 GMT 2023
PRIMARY
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TARGET -> AGONIST
SELECTIVE
TARGET -> AGONIST
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PARENT -> METABOLITE ACTIVE
PLASMA; URINE