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

Systemtic Name: S-tert-butyl (3S,4S,5S)-4-[bis(phenylmethyl)amino]-5-methyl-3-oxidanyl-heptanethioate Openeye Name: S-tert-butyl (3S,4S,5S)-4-(dibenzylamino)-3-hydroxy-5-methyl-heptanethioate CAS Name: (3S,4S,5S)-4-[bis(phenylmethyl)amino]-3-hydroxy-5-methylheptanethioic acid S-tert-butyl ester IUPAC Name: S-tert-butyl (3S,4S,5S)-4-(dibenzylamino)-3-hydroxy-5-methylheptanethioate Traditional Name: (3S,4S,5S)-4-(dibenzylamino)-3-hydroxy-5-methyl-heptanethioic acid S-tert-butyl ester Formula: C26H37NO2S MolecularWeight: 427.64248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](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/c1-6-20(2)25(23(28)17-24(29)30-26(3,4)5)27(18-21-13-9-7-10-14-21)19-22-15-11-8-12-16-22/h7-16,20,23,25,28H,6,17-19H2,1-5H3/t20-,23-,25-/m0/s1