S-tert-butyl (3S,4S)-4-[bis(phenylmethyl)amino]-5-methyl-3-oxidanyl-hexanethioate

Systemtic Name: S-tert-butyl (3S,4S)-4-[bis(phenylmethyl)amino]-5-methyl-3-oxidanyl-hexanethioate Openeye Name: S-tert-butyl (3S,4S)-4-(dibenzylamino)-3-hydroxy-5-methyl-hexanethioate CAS Name: (3S,4S)-4-[bis(phenylmethyl)amino]-3-hydroxy-5-methylhexanethioic acid S-tert-butyl ester IUPAC Name: S-tert-butyl (3S,4S)-4-(dibenzylamino)-3-hydroxy-5-methylhexanethioate Traditional Name: (3S,4S)-4-(dibenzylamino)-3-hydroxy-5-methyl-hexanethioic acid S-tert-butyl ester Formula: C25H35NO2S MolecularWeight: 413.6159

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(CC(=O)SC(C)(C)C)O)N(CC1=CC=CC=C1)CC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H]([C@H](CC(=O)SC(C)(C)C)O)N(CC1=CC=CC=C1)CC2=CC=CC=C2

InChI

InChI=1S/C25H35NO2S/c1-19(2)24(22(27)16-23(28)29-25(3,4)5)26(17-20-12-8-6-9-13-20)18-21-14-10-7-11-15-21/h6-15,19,22,24,27H,16-18H2,1-5H3/t22-,24-/m0/s1