2-benzamido-2-(2-carboxyethylcarbamoyl)-3-pyrrolidin-1-ylsulfonyl-pentanedioic acid

Systemtic Name: 2-benzamido-2-(2-carboxyethylcarbamoyl)-3-pyrrolidin-1-ylsulfonyl-pentanedioic acid Openeye Name: 2-benzamido-2-(2-carboxyethylcarbamoyl)-3-pyrrolidin-1-ylsulfonyl-pentanedioic acid CAS Name: 2-benzamido-2-[(2-carboxyethylamino)-oxomethyl]-3-(1-pyrrolidinylsulfonyl)pentanedioic acid IUPAC Name: 2-benzamido-2-(2-carboxyethylcarbamoyl)-3-pyrrolidin-1-ylsulfonylpentanedioic acid Traditional Name: 2-benzamido-2-(2-carboxyethylcarbamoyl)-3-pyrrolidinosulfonyl-glutaric acid Formula: C20H25N3O10S MolecularWeight: 499.4916

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C(CC(=O)O)C(C(=O)NCCC(=O)O)(C(=O)O)NC(=O)C2=CC=CC=C2

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C(CC(=O)O)C(C(=O)NCCC(=O)O)(C(=O)O)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H25N3O10S/c24-15(25)8-9-21-18(29)20(19(30)31,22-17(28)13-6-2-1-3-7-13)14(12-16(26)27)34(32,33)23-10-4-5-11-23/h1-3,6-7,14H,4-5,8-12H2,(H,21,29)(H,22,28)(H,24,25)(H,26,27)(H,30,31)