(2S)-2-acetamido-N-[(1R)-1-phenylethyl]-3-(4-propan-2-ylphenyl)sulfanyl-propanamide

Systemtic Name: (2S)-2-acetamido-N-[(1R)-1-phenylethyl]-3-(4-propan-2-ylphenyl)sulfanyl-propanamide Openeye Name: (2S)-2-acetamido-3-(4-isopropylphenyl)sulfanyl-N-[(1R)-1-phenylethyl]propanamide CAS Name: (2S)-2-acetamido-N-[(1R)-1-phenylethyl]-3-[(4-propan-2-ylphenyl)thio]propanamide IUPAC Name: (2S)-2-acetamido-N-[(1R)-1-phenylethyl]-3-(4-propan-2-ylphenyl)sulfanylpropanamide Traditional Name: (2S)-2-acetamido-3-(p-cumenylthio)-N-[(1R)-1-phenylethyl]propionamide Formula: C22H28N2O2S MolecularWeight: 384.53492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)SCC(C(=O)NC(C)C2=CC=CC=C2)NC(=O)C

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC(=O)[C@@H](CSC2=CC=C(C=C2)C(C)C)NC(=O)C

InChI

InChI=1S/C22H28N2O2S/c1-15(2)18-10-12-20(13-11-18)27-14-21(24-17(4)25)22(26)23-16(3)19-8-6-5-7-9-19/h5-13,15-16,21H,14H2,1-4H3,(H,23,26)(H,24,25)/t16-,21-/m1/s1