2-acetamido-2-[[1-(1-phenylmethoxyethylsulfonyl)pyrrolidin-3-yl]disulfanyl]propanoic acid

Systemtic Name: 2-acetamido-2-[[1-(1-phenylmethoxyethylsulfonyl)pyrrolidin-3-yl]disulfanyl]propanoic acid Openeye Name: 2-acetamido-2-[[1-(1-benzyloxyethylsulfonyl)pyrrolidin-3-yl]disulfanyl]propanoic acid CAS Name: 2-acetamido-2-[[1-(1-phenylmethoxyethylsulfonyl)-3-pyrrolidinyl]disulfanyl]propanoic acid IUPAC Name: 2-acetamido-2-[[1-(1-phenylmethoxyethylsulfonyl)pyrrolidin-3-yl]disulfanyl]propanoic acid Traditional Name: 2-acetamido-2-[[1-(1-benzoxyethylsulfonyl)pyrrolidin-3-yl]disulfanyl]propionic acid Formula: C18H26N2O6S3 MolecularWeight: 462.60384

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Descriptors Computed from Structure

Canonical SMILES:

CC(OCC1=CC=CC=C1)S(=O)(=O)N2CCC(C2)SSC(C)(C(=O)O)NC(=O)C

Isomeric SMILES

CC(OCC1=CC=CC=C1)S(=O)(=O)N2CCC(C2)SSC(C)(C(=O)O)NC(=O)C

InChI

InChI=1S/C18H26N2O6S3/c1-13(21)19-18(3,17(22)23)28-27-16-9-10-20(11-16)29(24,25)14(2)26-12-15-7-5-4-6-8-15/h4-8,14,16H,9-12H2,1-3H3,(H,19,21)(H,22,23)