(2S)-2-acetamido-N-phenethyl-N-(phenylmethyl)-3-(4-propan-2-ylphenyl)sulfanyl-propanamide

Systemtic Name: (2S)-2-acetamido-N-phenethyl-N-(phenylmethyl)-3-(4-propan-2-ylphenyl)sulfanyl-propanamide Openeye Name: (2S)-2-acetamido-N-benzyl-3-(4-isopropylphenyl)sulfanyl-N-phenethyl-propanamide CAS Name: (2S)-2-acetamido-N-phenethyl-N-(phenylmethyl)-3-[(4-propan-2-ylphenyl)thio]propanamide IUPAC Name: (2S)-2-acetamido-N-benzyl-N-phenethyl-3-(4-propan-2-ylphenyl)sulfanylpropanamide Traditional Name: (2S)-2-acetamido-N-benzyl-3-(p-cumenylthio)-N-phenethyl-propionamide Formula: C29H34N2O2S MolecularWeight: 474.65746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)SCC(C(=O)N(CCC2=CC=CC=C2)CC3=CC=CC=C3)NC(=O)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)SC[C@H](C(=O)N(CCC2=CC=CC=C2)CC3=CC=CC=C3)NC(=O)C

InChI

InChI=1S/C29H34N2O2S/c1-22(2)26-14-16-27(17-15-26)34-21-28(30-23(3)32)29(33)31(20-25-12-8-5-9-13-25)19-18-24-10-6-4-7-11-24/h4-17,22,28H,18-21H2,1-3H3,(H,30,32)/t28-/m1/s1