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

Systemtic Name: (2S)-2-acetamido-3-(4-methylphenyl)sulfanyl-N-phenethyl-N-(phenylmethyl)propanamide Openeye Name: (2S)-2-acetamido-N-benzyl-N-phenethyl-3-(p-tolylsulfanyl)propanamide CAS Name: (2S)-2-acetamido-3-[(4-methylphenyl)thio]-N-phenethyl-N-(phenylmethyl)propanamide IUPAC Name: (2S)-2-acetamido-N-benzyl-3-(4-methylphenyl)sulfanyl-N-phenethylpropanamide Traditional Name: (2S)-2-acetamido-N-benzyl-N-phenethyl-3-(p-tolylthio)propionamide Formula: C27H30N2O2S MolecularWeight: 446.6043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(C(=O)N(CCC2=CC=CC=C2)CC3=CC=CC=C3)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SC[C@H](C(=O)N(CCC2=CC=CC=C2)CC3=CC=CC=C3)NC(=O)C

InChI

InChI=1S/C27H30N2O2S/c1-21-13-15-25(16-14-21)32-20-26(28-22(2)30)27(31)29(19-24-11-7-4-8-12-24)18-17-23-9-5-3-6-10-23/h3-16,26H,17-20H2,1-2H3,(H,28,30)/t26-/m1/s1