Sitagliptin Fenilalanil

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H24F6N6O2
Molecular Weight	554.4875
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(=O)N2CCN3C(C2)=NN=C3C(F)(F)F)CC4=C(F)C=C(F)C(F)=C4

InChI

InChIKey=FFZDVHCAHYOEPA-UZLBHIALSA-N

InChI=1S/C25H24F6N6O2/c26-17-12-19(28)18(27)10-15(17)9-16(33-23(39)20(32)8-14-4-2-1-3-5-14)11-22(38)36-6-7-37-21(13-36)34-35-24(37)25(29,30)31/h1-5,10,12,16,20H,6-9,11,13,32H2,(H,33,39)/t16-,20+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C25H24F6N6O2
Molecular Weight	554.4875
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:30:46 UTC 2023` Edited by `admin` on `Sat Dec 16 19:30:46 UTC 2023`
Record UNII	LR99Q6X62V
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Sitagliptin Fenilalanil

Official Name

English

(2S)-2-amino-N-{(2R)-4-oxo-4-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-yl}-3-phenylpropanamide

Systematic Name

English

(αS)-α-Amino-N-[(1R)-3-[5,6-dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl]-3-oxo-1-[(2,4,5-trifluorophenyl)methyl]propyl]benzenepropanamide

Systematic Name

English

Benzenepropanamide, α-amino-N-[(1R)-3-[5,6-dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl]-3-oxo-1-[(2,4,5-trifluorophenyl)methyl]propyl]-, (αS)-

Systematic Name

English

sitagliptin fenilalanil [INN]

Common Name

English

Code System Code Type Description

PUBCHEM

164886617