2-[[4-[[4-(2-carboxypyrrolidin-1-yl)sulfonylphenyl]carbonylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]pentanedioic acid

Systemtic Name: 2-[[4-[[4-(2-carboxypyrrolidin-1-yl)sulfonylphenyl]carbonylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]pentanedioic acid Openeye Name: 2-[[4-[[4-(2-carboxypyrrolidin-1-yl)sulfonylbenzoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]pentanedioic acid CAS Name: 2-[[4-[[[4-[(2-carboxy-1-pyrrolidinyl)sulfonyl]phenyl]-oxomethyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[[4-(2-carboxypyrrolidin-1-yl)sulfonylbenzoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[[4-(2-carboxypyrrolidino)sulfonylbenzoyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]glutaric acid Formula: C22H27N3O12S MolecularWeight: 557.52768

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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)NC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O12S/c26-17(23-14(20(30)31)8-10-18(27)28)9-7-15(21(32)33)24-19(29)12-3-5-13(6-4-12)38(36,37)25-11-1-2-16(25)22(34)35/h3-6,14-16H,1-2,7-11H2,(H,23,26)(H,24,29)(H,27,28)(H,30,31)(H,32,33)(H,34,35)