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

Systemtic Name: (2S)-2-acetamido-N-phenethyl-3-(4-phenylmethoxyphenyl)sulfanyl-propanamide Openeye Name: (2S)-2-acetamido-3-(4-benzyloxyphenyl)sulfanyl-N-phenethyl-propanamide CAS Name: (2S)-2-acetamido-N-phenethyl-3-[(4-phenylmethoxyphenyl)thio]propanamide IUPAC Name: (2S)-2-acetamido-N-phenethyl-3-(4-phenylmethoxyphenyl)sulfanylpropanamide Traditional Name: (2S)-2-acetamido-3-[(4-benzoxyphenyl)thio]-N-phenethyl-propionamide Formula: C26H28N2O3S MolecularWeight: 448.57712

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C26H28N2O3S/c1-20(29)28-25(26(30)27-17-16-21-8-4-2-5-9-21)19-32-24-14-12-23(13-15-24)31-18-22-10-6-3-7-11-22/h2-15,25H,16-19H2,1H3,(H,27,30)(H,28,29)/t25-/m1/s1