(?R)-?-[[(1S)-2-Amino-2-oxo-1-phenylethyl]amino]-2,4,5-trifluorobenzenebutanoic acid

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H17F3N2O3
Molecular Weight	366.3344
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (?R)-?-[[(1S)-2-Amino-2-oxo-1-phenylethyl]amino]-2,4,5-trifluorobenzenebutanoic acid

Structure Search

SMILES

NC(=O)[C@@H](N[C@@H](CC(O)=O)CC1=CC(F)=C(F)C=C1F)C2=CC=CC=C2

InChI

InChIKey=UPLAMIKTJOYHII-PXAZEXFGSA-N

InChI=1S/C18H17F3N2O3/c19-13-9-15(21)14(20)7-11(13)6-12(8-16(24)25)23-17(18(22)26)10-4-2-1-3-5-10/h1-5,7,9,12,17,23H,6,8H2,(H2,22,26)(H,24,25)/t12-,17+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C18H17F3N2O3
Molecular Weight	366.3344
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 17:30:54 GMT 2025` Edited by `admin` on `Wed Apr 02 17:30:54 GMT 2025`
Record UNII	TDM2UY4L2D
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(?R)-?-[[(1S)-2-Amino-2-oxo-1-phenylethyl]amino]-2,4,5-trifluorobenzenebutanoic acid

Systematic Name

English

Benzenebutanoic acid, ?-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2,4,5-trifluoro-, (?R)-

Preferred Name

English

Code System Code Type Description

FDA UNII

TDM2UY4L2D

Created by admin on Wed Apr 02 17:30:54 GMT 2025 , Edited by admin on Wed Apr 02 17:30:54 GMT 2025

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PUBCHEM

124222558

Created by admin on Wed Apr 02 17:30:54 GMT 2025 , Edited by admin on Wed Apr 02 17:30:54 GMT 2025

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CAS

2114308-71-1

Created by admin on Wed Apr 02 17:30:54 GMT 2025 , Edited by admin on Wed Apr 02 17:30:54 GMT 2025

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