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

Systemtic Name: 2-[[4-[2-[(4-oxidanyl-4-oxidanylidene-butyl)carbamoyl]pyrrolidin-1-yl]sulfonylphenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[2-[(4-hydroxy-4-oxo-butyl)carbamoyl]pyrrolidin-1-yl]sulfonylbenzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[[2-[[(4-hydroxy-4-oxobutyl)amino]-oxomethyl]-1-pyrrolidinyl]sulfonyl]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[2-[(4-hydroxy-4-oxobutyl)carbamoyl]pyrrolidin-1-yl]sulfonylbenzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[2-[(4-hydroxy-4-keto-butyl)carbamoyl]pyrrolidino]sulfonylbenzoyl]amino]glutaric acid Formula: C21H27N3O10S MolecularWeight: 513.51818

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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)NCCCC(=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)NCCCC(=O)O

InChI

InChI=1S/C21H27N3O10S/c25-17(26)4-1-11-22-20(30)16-3-2-12-24(16)35(33,34)14-7-5-13(6-8-14)19(29)23-15(21(31)32)9-10-18(27)28/h5-8,15-16H,1-4,9-12H2,(H,22,30)(H,23,29)(H,25,26)(H,27,28)(H,31,32)