2-[[4-[2-(3-methylbutylcarbamoyl)pyrrolidin-1-yl]sulfonylphenyl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-[2-(3-methylbutylcarbamoyl)pyrrolidin-1-yl]sulfonylphenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[2-(isopentylcarbamoyl)pyrrolidin-1-yl]sulfonylbenzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[[2-[(3-methylbutylamino)-oxomethyl]-1-pyrrolidinyl]sulfonyl]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[2-(3-methylbutylcarbamoyl)pyrrolidin-1-yl]sulfonylbenzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[2-(isoamylcarbamoyl)pyrrolidino]sulfonylbenzoyl]amino]glutaric acid Formula: C22H31N3O8S MolecularWeight: 497.56184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1CCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

CC(C)CCNC(=O)C1CCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C22H31N3O8S/c1-14(2)11-12-23-21(29)18-4-3-13-25(18)34(32,33)16-7-5-15(6-8-16)20(28)24-17(22(30)31)9-10-19(26)27/h5-8,14,17-18H,3-4,9-13H2,1-2H3,(H,23,29)(H,24,28)(H,26,27)(H,30,31)