(2R)-2-acetamido-N-[(1R)-1-phenylethyl]-3-(4-phenylmethoxyphenyl)sulfanyl-propanamide

Systemtic Name: (2R)-2-acetamido-N-[(1R)-1-phenylethyl]-3-(4-phenylmethoxyphenyl)sulfanyl-propanamide Openeye Name: (2R)-2-acetamido-3-(4-benzyloxyphenyl)sulfanyl-N-[(1R)-1-phenylethyl]propanamide CAS Name: (2R)-2-acetamido-N-[(1R)-1-phenylethyl]-3-[(4-phenylmethoxyphenyl)thio]propanamide IUPAC Name: (2R)-2-acetamido-N-[(1R)-1-phenylethyl]-3-(4-phenylmethoxyphenyl)sulfanylpropanamide Traditional Name: (2R)-2-acetamido-3-[(4-benzoxyphenyl)thio]-N-[(1R)-1-phenylethyl]propionamide Formula: C26H28N2O3S MolecularWeight: 448.57712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N2O3S/c1-19(22-11-7-4-8-12-22)27-26(30)25(28-20(2)29)18-32-24-15-13-23(14-16-24)31-17-21-9-5-3-6-10-21/h3-16,19,25H,17-18H2,1-2H3,(H,27,30)(H,28,29)/t19-,25+/m1/s1