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

Systemtic Name: (2S)-2-acetamido-3-(4-methoxyphenyl)sulfanyl-N-phenethyl-N-(phenylmethyl)propanamide Openeye Name: (2S)-2-acetamido-N-benzyl-3-(4-methoxyphenyl)sulfanyl-N-phenethyl-propanamide CAS Name: (2S)-2-acetamido-3-[(4-methoxyphenyl)thio]-N-phenethyl-N-(phenylmethyl)propanamide IUPAC Name: (2S)-2-acetamido-N-benzyl-3-(4-methoxyphenyl)sulfanyl-N-phenethylpropanamide Traditional Name: (2S)-2-acetamido-N-benzyl-3-[(4-methoxyphenyl)thio]-N-phenethyl-propionamide Formula: C27H30N2O3S MolecularWeight: 462.6037

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=C(C=C1)OC)C(=O)N(CCC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC=C(C=C1)OC)C(=O)N(CCC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C27H30N2O3S/c1-21(30)28-26(20-33-25-15-13-24(32-2)14-16-25)27(31)29(19-23-11-7-4-8-12-23)18-17-22-9-5-3-6-10-22/h3-16,26H,17-20H2,1-2H3,(H,28,30)/t26-/m1/s1