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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H19F2NO3
Molecular Weight 311.3238
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (S)-3-(4,4-DIFLUOROCYCLOHEXANE-1-CARBOXAMIDO)-3-PHENYLPROPANOIC ACID

SMILES

OC(=O)C[C@H](NC(=O)C1CCC(F)(F)CC1)C2=CC=CC=C2

InChI

InChIKey=FYYOMHRURPJWBF-ZDUSSCGKSA-N
InChI=1S/C16H19F2NO3/c17-16(18)8-6-12(7-9-16)15(22)19-13(10-14(20)21)11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,19,22)(H,20,21)/t13-/m0/s1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
(?S)-?-[[(4,4-Difluorocyclohexyl)carbonyl]amino]benzenepropanoic acid
Preferred Name English
(S)-3-(4,4-DIFLUOROCYCLOHEXANE-1-CARBOXAMIDO)-3-PHENYLPROPANOIC ACID
Systematic Name English
Benzenepropanoic acid, ?-[[(4,4-difluorocyclohexyl)carbonyl]amino]-, (?S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
59710466
Created by admin on Wed Apr 02 14:52:12 GMT 2025 , Edited by admin on Wed Apr 02 14:52:12 GMT 2025
PRIMARY
FDA UNII
ZZ7AYU36UA
Created by admin on Wed Apr 02 14:52:12 GMT 2025 , Edited by admin on Wed Apr 02 14:52:12 GMT 2025
PRIMARY
CAS
948592-18-5
Created by admin on Wed Apr 02 14:52:12 GMT 2025 , Edited by admin on Wed Apr 02 14:52:12 GMT 2025
PRIMARY
NIH
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