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

Systemtic Name: (2S)-2-acetamido-N-phenethyl-3-(4-phenoxyphenyl)sulfanyl-N-(phenylmethyl)propanamide Openeye Name: (2S)-2-acetamido-N-benzyl-N-phenethyl-3-(4-phenoxyphenyl)sulfanyl-propanamide CAS Name: (2S)-2-acetamido-N-phenethyl-3-[(4-phenoxyphenyl)thio]-N-(phenylmethyl)propanamide IUPAC Name: (2S)-2-acetamido-N-benzyl-N-phenethyl-3-(4-phenoxyphenyl)sulfanylpropanamide Traditional Name: (2S)-2-acetamido-N-benzyl-N-phenethyl-3-[(4-phenoxyphenyl)thio]propionamide Formula: C32H32N2O3S MolecularWeight: 524.67308

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)N(CCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)N(CCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C32H32N2O3S/c1-25(35)33-31(24-38-30-19-17-29(18-20-30)37-28-15-9-4-10-16-28)32(36)34(23-27-13-7-3-8-14-27)22-21-26-11-5-2-6-12-26/h2-20,31H,21-24H2,1H3,(H,33,35)/t31-/m1/s1