[(2S,3S)-3-[bis(phenylmethyl)amino]-1-methylsulfanyl-1-oxidanylidene-4-phenyl-butan-2-yl] ethanoate

Systemtic Name: [(2S,3S)-3-[bis(phenylmethyl)amino]-1-methylsulfanyl-1-oxidanylidene-4-phenyl-butan-2-yl] ethanoate Openeye Name: [(1S,2S)-2-(dibenzylamino)-1-methylsulfanylcarbonyl-3-phenyl-propyl] acetate CAS Name: acetic acid [(2S,3S)-3-[bis(phenylmethyl)amino]-1-(methylthio)-1-oxo-4-phenylbutan-2-yl] ester IUPAC Name: [(2S,3S)-3-(dibenzylamino)-1-methylsulfanyl-1-oxo-4-phenylbutan-2-yl] acetate Traditional Name: acetic acid [(1S,2S)-2-(dibenzylamino)-1-(methylthio)carbonyl-3-phenyl-propyl] ester Formula: C27H29NO3S MolecularWeight: 447.58906

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C(CC1=CC=CC=C1)N(CC2=CC=CC=C2)CC3=CC=CC=C3)C(=O)SC

Isomeric SMILES

CC(=O)O[C@@H]([C@H](CC1=CC=CC=C1)N(CC2=CC=CC=C2)CC3=CC=CC=C3)C(=O)SC

InChI

InChI=1S/C27H29NO3S/c1-21(29)31-26(27(30)32-2)25(18-22-12-6-3-7-13-22)28(19-23-14-8-4-9-15-23)20-24-16-10-5-11-17-24/h3-17,25-26H,18-20H2,1-2H3/t25-,26-/m0/s1