(phenylmethyl) (2S,3R)-1-[(1S)-1-phenylethyl]-3-(phenylsulfonylmethyl)pyrrolidine-2-carboxylate

Systemtic Name: (phenylmethyl) (2S,3R)-1-[(1S)-1-phenylethyl]-3-(phenylsulfonylmethyl)pyrrolidine-2-carboxylate Openeye Name: benzyl (2S,3R)-3-(benzenesulfonylmethyl)-1-[(1S)-1-phenylethyl]pyrrolidine-2-carboxylate CAS Name: (2S,3R)-3-(benzenesulfonylmethyl)-1-[(1S)-1-phenylethyl]-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,3R)-3-(benzenesulfonylmethyl)-1-[(1S)-1-phenylethyl]pyrrolidine-2-carboxylate Traditional Name: (2S,3R)-3-(besylmethyl)-1-[(1S)-1-phenylethyl]pyrrolidine-2-carboxylic acid benzyl ester Formula: C27H29NO4S MolecularWeight: 463.58846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2CCC(C2C(=O)OCC3=CC=CC=C3)CS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)N2CC[C@H]([C@H]2C(=O)OCC3=CC=CC=C3)CS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H29NO4S/c1-21(23-13-7-3-8-14-23)28-18-17-24(20-33(30,31)25-15-9-4-10-16-25)26(28)27(29)32-19-22-11-5-2-6-12-22/h2-16,21,24,26H,17-20H2,1H3/t21-,24-,26-/m0/s1