[(2S,3S)-3-[bis(phenylmethyl)amino]-5-methyl-1-methylsulfanyl-1-oxidanylidene-hexan-2-yl] ethanoate

Systemtic Name: [(2S,3S)-3-[bis(phenylmethyl)amino]-5-methyl-1-methylsulfanyl-1-oxidanylidene-hexan-2-yl] ethanoate Openeye Name: [(1S,2S)-2-(dibenzylamino)-4-methyl-1-methylsulfanylcarbonyl-pentyl] acetate CAS Name: acetic acid [(2S,3S)-3-[bis(phenylmethyl)amino]-5-methyl-1-(methylthio)-1-oxohexan-2-yl] ester IUPAC Name: [(2S,3S)-3-(dibenzylamino)-5-methyl-1-methylsulfanyl-1-oxohexan-2-yl] acetate Traditional Name: acetic acid [(1S,2S)-2-(dibenzylamino)-4-methyl-1-(methylthio)carbonyl-pentyl] ester Formula: C24H31NO3S MolecularWeight: 413.57284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31NO3S/c1-18(2)15-22(23(24(27)29-4)28-19(3)26)25(16-20-11-7-5-8-12-20)17-21-13-9-6-10-14-21/h5-14,18,22-23H,15-17H2,1-4H3/t22-,23-/m0/s1