(3R)-3-acetamido-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-phenyl-propanamide

Systemtic Name: (3R)-3-acetamido-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-phenyl-propanamide Openeye Name: (3R)-3-acetamido-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-phenyl-propanamide CAS Name: (3R)-3-acetamido-N-[2-[(2-cyanophenyl)methylthio]ethyl]-3-phenylpropanamide IUPAC Name: (3R)-3-acetamido-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-phenylpropanamide Traditional Name: (3R)-3-acetamido-N-[2-[(2-cyanobenzyl)thio]ethyl]-3-phenyl-propionamide Formula: C21H23N3O2S MolecularWeight: 381.49122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)NCCSCC1=CC=CC=C1C#N)C2=CC=CC=C2

Isomeric SMILES

CC(=O)N[C@H](CC(=O)NCCSCC1=CC=CC=C1C#N)C2=CC=CC=C2

InChI

InChI=1S/C21H23N3O2S/c1-16(25)24-20(17-7-3-2-4-8-17)13-21(26)23-11-12-27-15-19-10-6-5-9-18(19)14-22/h2-10,20H,11-13,15H2,1H3,(H,23,26)(H,24,25)/t20-/m1/s1