(2S)-2-[2-(2,3,4,5,6-pentamethylphenyl)ethanethioylamino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[2-(2,3,4,5,6-pentamethylphenyl)ethanethioylamino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[2-(2,3,4,5,6-pentamethylphenyl)ethanethioyl]amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[2-(2,3,4,5,6-pentamethylphenyl)-1-sulfanylideneethyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[2-(2,3,4,5,6-pentamethylphenyl)ethanethioyl]amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[2-(2,3,4,5,6-pentamethylphenyl)thioacetyl]amino]-3-phenyl-propionic acid Formula: C22H27NO2S MolecularWeight: 369.52028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)CC(=S)NC(CC2=CC=CC=C2)C(=O)O)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)CC(=S)N[C@@H](CC2=CC=CC=C2)C(=O)O)C)C

InChI

InChI=1S/C22H27NO2S/c1-13-14(2)16(4)19(17(5)15(13)3)12-21(26)23-20(22(24)25)11-18-9-7-6-8-10-18/h6-10,20H,11-12H2,1-5H3,(H,23,26)(H,24,25)/t20-/m0/s1