4-[[(3R)-1-[3-[(2-Cyano-5-fluorophenyl)methyl]-1,2,3,6-tetrahydro-1-methyl-2,6-dioxo-4-pyrimidinyl]-3-piperidinyl]amino]-4-oxobutanoic acid

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H24FN5O5
Molecular Weight	457.4549
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-[[(3R)-1-[3-[(2-Cyano-5-fluorophenyl)methyl]-1,2,3,6-tetrahydro-1-methyl-2,6-dioxo-4-pyrimidinyl]-3-piperidinyl]amino]-4-oxobutanoic acid

Structure Search

SMILES

CN1C(=O)C=C(N2CCC[C@H](C2)NC(=O)CCC(O)=O)N(CC3=CC(F)=CC=C3C#N)C1=O

InChI

InChIKey=QIJKBSCWMVFRIX-QGZVFWFLSA-N

InChI=1S/C22H24FN5O5/c1-26-20(30)10-19(27-8-2-3-17(13-27)25-18(29)6-7-21(31)32)28(22(26)33)12-15-9-16(23)5-4-14(15)11-24/h4-5,9-10,17H,2-3,6-8,12-13H2,1H3,(H,25,29)(H,31,32)/t17-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C22H24FN5O5
Molecular Weight	457.4549
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 17:29:42 GMT 2025` Edited by `admin` on `Wed Apr 02 17:29:42 GMT 2025`
Record UNII	8B2GEU4ATG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Trelagliptin Impurity 15

Preferred Name

English

4-[[(3R)-1-[3-[(2-Cyano-5-fluorophenyl)methyl]-1,2,3,6-tetrahydro-1-methyl-2,6-dioxo-4-pyrimidinyl]-3-piperidinyl]amino]-4-oxobutanoic acid

Systematic Name

English

(R)-4-((1-(3-(2-Cyano-5-fluorobenzyl)-1-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)piperidin-3-yl)amino)-4-oxobutanoic acid

Systematic Name

English

Butanoic acid, 4-[[(3R)-1-[3-[(2-cyano-5-fluorophenyl)methyl]-1,2,3,6-tetrahydro-1-methyl-2,6-dioxo-4-pyrimidinyl]-3-piperidinyl]amino]-4-oxo-

Systematic Name

English

Code System Code Type Description

FDA UNII

8B2GEU4ATG

Created by admin on Wed Apr 02 17:29:42 GMT 2025 , Edited by admin on Wed Apr 02 17:29:42 GMT 2025

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PUBCHEM

154574671

Created by admin on Wed Apr 02 17:29:42 GMT 2025 , Edited by admin on Wed Apr 02 17:29:42 GMT 2025

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CAS

2087874-92-6

Created by admin on Wed Apr 02 17:29:42 GMT 2025 , Edited by admin on Wed Apr 02 17:29:42 GMT 2025

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