(2R)-2-acetamido-N-[(4-methylphenyl)methyl]-3-(4-phenylmethoxyphenyl)sulfanyl-propanamide

Systemtic Name: (2R)-2-acetamido-N-[(4-methylphenyl)methyl]-3-(4-phenylmethoxyphenyl)sulfanyl-propanamide Openeye Name: (2R)-2-acetamido-3-(4-benzyloxyphenyl)sulfanyl-N-(p-tolylmethyl)propanamide CAS Name: (2R)-2-acetamido-N-[(4-methylphenyl)methyl]-3-[(4-phenylmethoxyphenyl)thio]propanamide IUPAC Name: (2R)-2-acetamido-N-[(4-methylphenyl)methyl]-3-(4-phenylmethoxyphenyl)sulfanylpropanamide Traditional Name: (2R)-2-acetamido-3-[(4-benzoxyphenyl)thio]-N-(4-methylbenzyl)propionamide Formula: C26H28N2O3S MolecularWeight: 448.57712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C(CSC2=CC=C(C=C2)OCC3=CC=CC=C3)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)[C@H](CSC2=CC=C(C=C2)OCC3=CC=CC=C3)NC(=O)C

InChI

InChI=1S/C26H28N2O3S/c1-19-8-10-21(11-9-19)16-27-26(30)25(28-20(2)29)18-32-24-14-12-23(13-15-24)31-17-22-6-4-3-5-7-22/h3-15,25H,16-18H2,1-2H3,(H,27,30)(H,28,29)/t25-/m0/s1