2-benzamido-2-[(6-oxidanyl-6-oxidanylidene-hexyl)carbamoyl]-3-pyrrolidin-1-ylsulfonyl-pentanedioic acid

Systemtic Name: 2-benzamido-2-[(6-oxidanyl-6-oxidanylidene-hexyl)carbamoyl]-3-pyrrolidin-1-ylsulfonyl-pentanedioic acid Openeye Name: 2-benzamido-2-[(6-hydroxy-6-oxo-hexyl)carbamoyl]-3-pyrrolidin-1-ylsulfonyl-pentanedioic acid CAS Name: 2-benzamido-2-[[(6-hydroxy-6-oxohexyl)amino]-oxomethyl]-3-(1-pyrrolidinylsulfonyl)pentanedioic acid IUPAC Name: 2-benzamido-2-[(6-hydroxy-6-oxohexyl)carbamoyl]-3-pyrrolidin-1-ylsulfonylpentanedioic acid Traditional Name: 2-benzamido-2-[(6-hydroxy-6-keto-hexyl)carbamoyl]-3-pyrrolidinosulfonyl-glutaric acid Formula: C23H31N3O10S MolecularWeight: 541.57134

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C23H31N3O10S/c27-18(28)11-5-2-6-12-24-21(32)23(22(33)34,25-20(31)16-9-3-1-4-10-16)17(15-19(29)30)37(35,36)26-13-7-8-14-26/h1,3-4,9-10,17H,2,5-8,11-15H2,(H,24,32)(H,25,31)(H,27,28)(H,29,30)(H,33,34)