methyl (2S)-2-acetamido-5-(2-oxidanyl-2,2-diphenyl-ethyl)sulfanyl-pentanoate

Systemtic Name: methyl (2S)-2-acetamido-5-(2-oxidanyl-2,2-diphenyl-ethyl)sulfanyl-pentanoate Openeye Name: methyl (2S)-2-acetamido-5-(2-hydroxy-2,2-diphenyl-ethyl)sulfanyl-pentanoate CAS Name: (2S)-2-acetamido-5-[(2-hydroxy-2,2-diphenylethyl)thio]pentanoic acid methyl ester IUPAC Name: methyl (2S)-2-acetamido-5-(2-hydroxy-2,2-diphenylethyl)sulfanylpentanoate Traditional Name: (2S)-2-acetamido-5-[(2-hydroxy-2,2-diphenyl-ethyl)thio]valeric acid methyl ester Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCCSCC(C1=CC=CC=C1)(C2=CC=CC=C2)O)C(=O)OC

Isomeric SMILES

CC(=O)N[C@@H](CCCSCC(C1=CC=CC=C1)(C2=CC=CC=C2)O)C(=O)OC

InChI

InChI=1S/C22H27NO4S/c1-17(24)23-20(21(25)27-2)14-9-15-28-16-22(26,18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-13,20,26H,9,14-16H2,1-2H3,(H,23,24)/t20-/m0/s1