(phenylmethyl) (2S,3R)-2-[(2S)-3-methyl-1-oxidanylidene-1-pyridin-2-ylsulfanyl-butan-2-yl]-3-(methylsulfonylamino)pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S,3R)-2-[(2S)-3-methyl-1-oxidanylidene-1-pyridin-2-ylsulfanyl-butan-2-yl]-3-(methylsulfonylamino)pyrrolidine-1-carboxylate Openeye Name: benzyl (2S,3R)-3-(methanesulfonamido)-2-[(1S)-2-methyl-1-(2-pyridylsulfanylcarbonyl)propyl]pyrrolidine-1-carboxylate CAS Name: (2S,3R)-3-(methanesulfonamido)-2-[(2S)-3-methyl-1-oxo-1-(2-pyridinylthio)butan-2-yl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,3R)-3-(methanesulfonamido)-2-[(2S)-3-methyl-1-oxo-1-pyridin-2-ylsulfanylbutan-2-yl]pyrrolidine-1-carboxylate Traditional Name: (2S,3R)-3-(methanesulfonamido)-2-[(1S)-2-methyl-1-(2-pyridylthio)carbonyl-propyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C23H29N3O5S2 MolecularWeight: 491.62346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1C(CCN1C(=O)OCC2=CC=CC=C2)NS(=O)(=O)C)C(=O)SC3=CC=CC=N3

Isomeric SMILES

CC(C)[C@@H]([C@H]1[C@@H](CCN1C(=O)OCC2=CC=CC=C2)NS(=O)(=O)C)C(=O)SC3=CC=CC=N3

InChI

InChI=1S/C23H29N3O5S2/c1-16(2)20(22(27)32-19-11-7-8-13-24-19)21-18(25-33(3,29)30)12-14-26(21)23(28)31-15-17-9-5-4-6-10-17/h4-11,13,16,18,20-21,25H,12,14-15H2,1-3H3/t18-,20+,21-/m1/s1