methyl (2S)-2-acetamido-5-methylsulfanyl-6-oxidanyl-6,6-diphenyl-hexanoate

Systemtic Name: methyl (2S)-2-acetamido-5-methylsulfanyl-6-oxidanyl-6,6-diphenyl-hexanoate Openeye Name: methyl (2S)-2-acetamido-6-hydroxy-5-methylsulfanyl-6,6-diphenyl-hexanoate CAS Name: (2S)-2-acetamido-6-hydroxy-5-(methylthio)-6,6-diphenylhexanoic acid methyl ester IUPAC Name: methyl (2S)-2-acetamido-6-hydroxy-5-methylsulfanyl-6,6-diphenylhexanoate Traditional Name: (2S)-2-acetamido-6-hydroxy-5-(methylthio)-6,6-diphenyl-hexanoic acid methyl ester Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCC(C(C1=CC=CC=C1)(C2=CC=CC=C2)O)SC)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO4S/c1-16(24)23-19(21(25)27-2)14-15-20(28-3)22(26,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,19-20,26H,14-15H2,1-3H3,(H,23,24)/t19-,20?/m0/s1