tert-butyl (2S)-2-[[(2S)-1-phenyl-3-phenylsulfanyl-propan-2-yl]carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-[[(2S)-1-phenyl-3-phenylsulfanyl-propan-2-yl]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-[[(1S)-1-benzyl-2-phenylsulfanyl-ethyl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[oxo-[[(2S)-1-phenyl-3-(phenylthio)propan-2-yl]amino]methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[(2S)-1-phenyl-3-phenylsulfanylpropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[[(1S)-1-benzyl-2-(phenylthio)ethyl]carbamoyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C25H32N2O3S MolecularWeight: 440.59818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C(=O)NC(CC2=CC=CC=C2)CSC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CC=CC=C2)CSC3=CC=CC=C3

InChI

InChI=1S/C25H32N2O3S/c1-25(2,3)30-24(29)27-16-10-15-22(27)23(28)26-20(17-19-11-6-4-7-12-19)18-31-21-13-8-5-9-14-21/h4-9,11-14,20,22H,10,15-18H2,1-3H3,(H,26,28)/t20-,22-/m0/s1