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

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H22F6N6O2
Molecular Weight	540.4609
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (2S)-2-[[(2R)-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1-(2,4,5-trifluorophenyl)butan-2-yl]amino]-2-phenylacetamide

Structure Search

SMILES

NC(=O)[C@@H](N[C@@H](CC(=O)N1CCN2C(C1)=NN=C2C(F)(F)F)CC3=CC(F)=C(F)C=C3F)C4=CC=CC=C4

InChI

InChIKey=DQIPFFHYFVHRIT-VFNWGFHPSA-N

InChI=1S/C24H22F6N6O2/c25-16-11-18(27)17(26)9-14(16)8-15(32-21(22(31)38)13-4-2-1-3-5-13)10-20(37)35-6-7-36-19(12-35)33-34-23(36)24(28,29)30/h1-5,9,11,15,21,32H,6-8,10,12H2,(H2,31,38)/t15-,21+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C24H22F6N6O2
Molecular Weight	540.4609
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 `Wed Apr 02 19:41:49 GMT 2025` Edited by `admin` on `Wed Apr 02 19:41:49 GMT 2025`
Record UNII	584F9M8SPG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

Systematic Name

English

(?S)-?-[[(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]amino]benzeneacetamide

Preferred Name

English

Benzeneacetamide, ?-[[(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]amino]-, (?S)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

58420444

Created by admin on Wed Apr 02 19:41:49 GMT 2025 , Edited by admin on Wed Apr 02 19:41:49 GMT 2025

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FDA UNII

584F9M8SPG

Created by admin on Wed Apr 02 19:41:49 GMT 2025 , Edited by admin on Wed Apr 02 19:41:49 GMT 2025

PRIMARY

CAS

769195-20-2

Created by admin on Wed Apr 02 19:41:49 GMT 2025 , Edited by admin on Wed Apr 02 19:41:49 GMT 2025

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