6J1T-B7U
product analogue of transesterification reaction between racemic acid (2-Phenylpropionic Acid p-Nitrophenyl Ester) and racemic alcohol 1-Phenylethanol
General
Type : Carboxamide
Chemical_Nomenclature : (2S)-2-phenyl-N-[(1R)-1-phenylethyl]propanamide
Canonical SMILES : CC(C1=CC=CC=C1)C(=O)NC(C)C2=CC=CC=C2
InChI : InChI=1S\/C17H19NO\/c1-13(15-9-5-3-6-10-15)17(19)18-14(2)16-11-7-4-8-12-16\/h3-14H,1-2H3,(H,18,19)\/t13-,14+\/m0\/s1
InChIKey : ZWNCJNODOVPNTF-UONOGXRCSA-N
Other name(s) : ZINC34245301,(S)-2-Phenyl-N-[(R)-1-phenylethyl]propanamide,(2S)-2-phenyl-N-[(1R)-1-phenylethyl]propanamide,B7U
MW : 253.34
Formula : C17H19NO
CAS_number :
PubChem : 92978613
UniChem : ZWNCJNODOVPNTF-UONOGXRCSA-N
IUPHAR :
Wikipedia :
Target
Families : 6J1T-B7U ligand of proteins in family: Canar_LipB
Stucture : 6J1T Crystal structure of CALB from Candida antarctica Mutant-SacidRalco A281G\/A282V\/V190C in complex with 3a
Protein : canar-LipB
References (1)
| Title : Stereodivergent Protein Engineering of a Lipase To Access All Possible Stereoisomers of Chiral Esters with Two Stereocenters - Xu_2019_J.Am.Chem.Soc_141_7934 |
| Author(s) : Xu J , Cen Y , Singh W , Fan J , Wu L , Lin X , Zhou J , Huang M , Reetz MT , Wu Q |
| Ref : Journal of the American Chemical Society , 141 :7934 , 2019 |
| Abstract : Xu_2019_J.Am.Chem.Soc_141_7934 |
| ESTHER : Xu_2019_J.Am.Chem.Soc_141_7934 |
| PubMedSearch : Xu_2019_J.Am.Chem.Soc_141_7934 |
| PubMedID: 31023008 |
| Gene_locus related to this paper: canar-LipB |