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

Systemtic Name: [(2S,3S)-3-[bis(phenylmethyl)amino]-1-methylsulfanyl-1-oxidanylidene-4-phenyl-butan-2-yl] 2,2-dimethylpropanoate Openeye Name: [(1S,2S)-2-(dibenzylamino)-1-methylsulfanylcarbonyl-3-phenyl-propyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic 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] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [(1S,2S)-2-(dibenzylamino)-1-(methylthio)carbonyl-3-phenyl-propyl] ester Formula: C30H35NO3S MolecularWeight: 489.6688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)C(=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/C30H35NO3S/c1-30(2,3)29(33)34-27(28(32)35-4)26(20-23-14-8-5-9-15-23)31(21-24-16-10-6-11-17-24)22-25-18-12-7-13-19-25/h5-19,26-27H,20-22H2,1-4H3/t26-,27-/m0/s1