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

Systemtic Name: 2-benzamido-2-(3-methylbutylcarbamoyl)-3-pyrrolidin-1-ylsulfonyl-pentanedioic acid Openeye Name: 2-benzamido-2-(isopentylcarbamoyl)-3-pyrrolidin-1-ylsulfonyl-pentanedioic acid CAS Name: 2-benzamido-2-[(3-methylbutylamino)-oxomethyl]-3-(1-pyrrolidinylsulfonyl)pentanedioic acid IUPAC Name: 2-benzamido-2-(3-methylbutylcarbamoyl)-3-pyrrolidin-1-ylsulfonylpentanedioic acid Traditional Name: 2-benzamido-2-(isoamylcarbamoyl)-3-pyrrolidinosulfonyl-glutaric acid Formula: C22H31N3O8S MolecularWeight: 497.56184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C(C(CC(=O)O)S(=O)(=O)N1CCCC1)(C(=O)O)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)CCNC(=O)C(C(CC(=O)O)S(=O)(=O)N1CCCC1)(C(=O)O)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H31N3O8S/c1-15(2)10-11-23-20(29)22(21(30)31,24-19(28)16-8-4-3-5-9-16)17(14-18(26)27)34(32,33)25-12-6-7-13-25/h3-5,8-9,15,17H,6-7,10-14H2,1-2H3,(H,23,29)(H,24,28)(H,26,27)(H,30,31)