(2S)-2-acetamido-N-tert-butyl-3-(4-phenylmethoxyphenyl)sulfanyl-propanamide

Systemtic Name: (2S)-2-acetamido-N-tert-butyl-3-(4-phenylmethoxyphenyl)sulfanyl-propanamide Openeye Name: (2S)-2-acetamido-3-(4-benzyloxyphenyl)sulfanyl-N-tert-butyl-propanamide CAS Name: (2S)-2-acetamido-N-tert-butyl-3-[(4-phenylmethoxyphenyl)thio]propanamide IUPAC Name: (2S)-2-acetamido-N-tert-butyl-3-(4-phenylmethoxyphenyl)sulfanylpropanamide Traditional Name: (2S)-2-acetamido-3-[(4-benzoxyphenyl)thio]-N-tert-butyl-propionamide Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)NC(C)(C)C

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)NC(C)(C)C

InChI

InChI=1S/C22H28N2O3S/c1-16(25)23-20(21(26)24-22(2,3)4)15-28-19-12-10-18(11-13-19)27-14-17-8-6-5-7-9-17/h5-13,20H,14-15H2,1-4H3,(H,23,25)(H,24,26)/t20-/m1/s1