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

Systemtic Name: 2-[[4-[[4-(2-carboxypiperidin-1-yl)sulfonylphenyl]carbonylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]pentanedioic acid Openeye Name: 2-[[4-[[4-[(2-carboxy-1-piperidyl)sulfonyl]benzoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]pentanedioic acid CAS Name: 2-[[4-[[[4-[(2-carboxy-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[[4-(2-carboxypiperidin-1-yl)sulfonylbenzoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[[4-(2-carboxypiperidino)sulfonylbenzoyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]glutaric acid Formula: C23H29N3O12S MolecularWeight: 571.55426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O12S/c27-18(24-15(21(31)32)9-11-19(28)29)10-8-16(22(33)34)25-20(30)13-4-6-14(7-5-13)39(37,38)26-12-2-1-3-17(26)23(35)36/h4-7,15-17H,1-3,8-12H2,(H,24,27)(H,25,30)(H,28,29)(H,31,32)(H,33,34)(H,35,36)