(2S,3S,4R)-3-(carboxymethyl)-4-ethanoyl-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxylic acid

Systemtic Name: (2S,3S,4R)-3-(carboxymethyl)-4-ethanoyl-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxylic acid Openeye Name: (2S,3S,4R)-4-acetyl-3-(carboxymethyl)-1-(p-tolylsulfonyl)pyrrolidine-2-carboxylic acid CAS Name: (2S,3S,4R)-4-acetyl-3-(carboxymethyl)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,3S,4R)-4-acetyl-3-(carboxymethyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylic acid Traditional Name: (2S,3S,4R)-4-acetyl-3-(carboxymethyl)-1-tosyl-proline Formula: C16H19NO7S MolecularWeight: 369.38956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(C(C2C(=O)O)CC(=O)O)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C[C@@H]([C@@H]([C@H]2C(=O)O)CC(=O)O)C(=O)C

InChI

InChI=1S/C16H19NO7S/c1-9-3-5-11(6-4-9)25(23,24)17-8-13(10(2)18)12(7-14(19)20)15(17)16(21)22/h3-6,12-13,15H,7-8H2,1-2H3,(H,19,20)(H,21,22)/t12-,13+,15-/m0/s1