(S)-3-(2-(5-((3-ethoxypyridin-2-yl)oxy)pyridin-3-yl)pyrimidine-5-carboxamido)-4-hydroxybutanoic acid

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H21N5O6
Molecular Weight	439.4213
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (S)-3-(2-(5-((3-ethoxypyridin-2-yl)oxy)pyridin-3-yl)pyrimidine-5-carboxamido)-4-hydroxybutanoic acid

Structure Search

SMILES

CCOC1=CC=CN=C1OC2=CN=CC(=C2)C3=NC=C(C=N3)C(=O)N[C@H](CO)CC(O)=O

InChI

InChIKey=QPNJHRXROUWYCT-HNNXBMFYSA-N

InChI=1S/C21H21N5O6/c1-2-31-17-4-3-5-23-21(17)32-16-6-13(8-22-11-16)19-24-9-14(10-25-19)20(30)26-15(12-27)7-18(28)29/h3-6,8-11,15,27H,2,7,12H2,1H3,(H,26,30)(H,28,29)/t15-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H21N5O6
Molecular Weight	439.4213
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 19:28:26 GMT 2023` Edited by `admin` on `Sat Dec 16 19:28:26 GMT 2023`
Record UNII	322B8YY2MA
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

(S)-3-(2-(5-((3-ethoxypyridin-2-yl)oxy)pyridin-3-yl)pyrimidine-5-carboxamido)-4-hydroxybutanoic acid

Systematic Name

English

Ervogastat metabolite m4

Common Name

English

Code System Code Type Description

PUBCHEM

166177290

Created by admin on Sat Dec 16 19:28:26 GMT 2023 , Edited by admin on Sat Dec 16 19:28:26 GMT 2023

PRIMARY

FDA UNII

322B8YY2MA

Created by admin on Sat Dec 16 19:28:26 GMT 2023 , Edited by admin on Sat Dec 16 19:28:26 GMT 2023

PRIMARY

Related Record Type Details


					BSOIY5AKQW

ERVOGASTAT

PARENT -> METABOLITE

Comments:

From hepatocyte

Amount: