S-tert-butyl (3S,4S)-4-[bis(phenylmethyl)amino]-6-methyl-3-oxidanyl-heptanethioate

Systemtic Name: S-tert-butyl (3S,4S)-4-[bis(phenylmethyl)amino]-6-methyl-3-oxidanyl-heptanethioate Openeye Name: S-tert-butyl (3S,4S)-4-(dibenzylamino)-3-hydroxy-6-methyl-heptanethioate CAS Name: (3S,4S)-4-[bis(phenylmethyl)amino]-3-hydroxy-6-methylheptanethioic acid S-tert-butyl ester IUPAC Name: S-tert-butyl (3S,4S)-4-(dibenzylamino)-3-hydroxy-6-methylheptanethioate Traditional Name: (3S,4S)-4-(dibenzylamino)-3-hydroxy-6-methyl-heptanethioic acid S-tert-butyl ester Formula: C26H37NO2S MolecularWeight: 427.64248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H37NO2S/c1-20(2)16-23(24(28)17-25(29)30-26(3,4)5)27(18-21-12-8-6-9-13-21)19-22-14-10-7-11-15-22/h6-15,20,23-24,28H,16-19H2,1-5H3/t23-,24-/m0/s1