(2R)-1-(1-phenylethylcarbamoyl)pyrrolidine-2-sulfonic acid

Systemtic Name: (2R)-1-(1-phenylethylcarbamoyl)pyrrolidine-2-sulfonic acid Openeye Name: (2R)-1-(1-phenylethylcarbamoyl)pyrrolidine-2-sulfonic acid CAS Name: (2R)-1-[oxo-(1-phenylethylamino)methyl]-2-pyrrolidinesulfonic acid IUPAC Name: (2R)-1-(1-phenylethylcarbamoyl)pyrrolidine-2-sulfonic acid Traditional Name: (2R)-1-(1-phenylethylcarbamoyl)pyrrolidine-2-sulfonic acid Formula: C13H18N2O4S MolecularWeight: 298.35802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)N2CCCC2S(=O)(=O)O

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)N2CCC[C@H]2S(=O)(=O)O

InChI

InChI=1S/C13H18N2O4S/c1-10(11-6-3-2-4-7-11)14-13(16)15-9-5-8-12(15)20(17,18)19/h2-4,6-7,10,12H,5,8-9H2,1H3,(H,14,16)(H,17,18,19)/t10?,12-/m1/s1