(2S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylsulfanyl-pyrrolidine-2-carboxylic acid

Systemtic Name: (2S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylsulfanyl-pyrrolidine-2-carboxylic acid Openeye Name: (2S,4R)-1-tert-butoxycarbonyl-4-phenylsulfanyl-pyrrolidine-2-carboxylic acid CAS Name: (2S,4R)-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-(phenylthio)-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylsulfanylpyrrolidine-2-carboxylic acid Traditional Name: (2S,4R)-1-tert-butoxycarbonyl-4-(phenylthio)proline Formula: C16H21NO4S MolecularWeight: 323.40724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1C(=O)O)SC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1C[C@@H](C[C@H]1C(=O)O)SC2=CC=CC=C2

InChI

InChI=1S/C16H21NO4S/c1-16(2,3)21-15(20)17-10-12(9-13(17)14(18)19)22-11-7-5-4-6-8-11/h4-8,12-13H,9-10H2,1-3H3,(H,18,19)/t12-,13+/m1/s1