2-[[4-[2-[(6-oxidanyl-6-oxidanylidene-hexyl)carbamoyl]pyrrolidin-1-yl]sulfonylphenyl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-[2-[(6-oxidanyl-6-oxidanylidene-hexyl)carbamoyl]pyrrolidin-1-yl]sulfonylphenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[2-[(6-hydroxy-6-oxo-hexyl)carbamoyl]pyrrolidin-1-yl]sulfonylbenzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[[2-[[(6-hydroxy-6-oxohexyl)amino]-oxomethyl]-1-pyrrolidinyl]sulfonyl]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[2-[(6-hydroxy-6-oxohexyl)carbamoyl]pyrrolidin-1-yl]sulfonylbenzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[2-[(6-hydroxy-6-keto-hexyl)carbamoyl]pyrrolidino]sulfonylbenzoyl]amino]glutaric acid Formula: C23H31N3O10S MolecularWeight: 541.57134

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC(CCC(=O)O)C(=O)O)C(=O)NCCCCCC(=O)O

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC(CCC(=O)O)C(=O)O)C(=O)NCCCCCC(=O)O

InChI

InChI=1S/C23H31N3O10S/c27-19(28)6-2-1-3-13-24-22(32)18-5-4-14-26(18)37(35,36)16-9-7-15(8-10-16)21(31)25-17(23(33)34)11-12-20(29)30/h7-10,17-18H,1-6,11-14H2,(H,24,32)(H,25,31)(H,27,28)(H,29,30)(H,33,34)