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

Systemtic Name: (phenylmethyl) (2S,3R)-1-[(1S)-1-phenylethyl]-3-(phenylsulfanylmethyl)pyrrolidine-2-carboxylate Openeye Name: benzyl (2S,3R)-1-[(1S)-1-phenylethyl]-3-(phenylsulfanylmethyl)pyrrolidine-2-carboxylate CAS Name: (2S,3R)-1-[(1S)-1-phenylethyl]-3-[(phenylthio)methyl]-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,3R)-1-[(1S)-1-phenylethyl]-3-(phenylsulfanylmethyl)pyrrolidine-2-carboxylate Traditional Name: (2S,3R)-1-[(1S)-1-phenylethyl]-3-[(phenylthio)methyl]pyrrolidine-2-carboxylic acid benzyl ester Formula: C27H29NO2S MolecularWeight: 431.58966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2CCC(C2C(=O)OCC3=CC=CC=C3)CSC4=CC=CC=C4

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)N2CC[C@H]([C@H]2C(=O)OCC3=CC=CC=C3)CSC4=CC=CC=C4

InChI

InChI=1S/C27H29NO2S/c1-21(23-13-7-3-8-14-23)28-18-17-24(20-31-25-15-9-4-10-16-25)26(28)27(29)30-19-22-11-5-2-6-12-22/h2-16,21,24,26H,17-20H2,1H3/t21-,24-,26-/m0/s1