(2S)-2-[[4-[(2R)-2-carboxypiperidin-1-yl]sulfonylphenyl]carbonylamino]butanedioic acid

Systemtic Name: (2S)-2-[[4-[(2R)-2-carboxypiperidin-1-yl]sulfonylphenyl]carbonylamino]butanedioic acid Openeye Name: (2S)-2-[[4-[[(2R)-2-carboxy-1-piperidyl]sulfonyl]benzoyl]amino]butanedioic acid CAS Name: (2S)-2-[[[4-[[(2R)-2-carboxy-1-piperidinyl]sulfonyl]phenyl]-oxomethyl]amino]butanedioic acid IUPAC Name: (2S)-2-[[4-[(2R)-2-carboxypiperidin-1-yl]sulfonylbenzoyl]amino]butanedioic acid Traditional Name: (2S)-2-[[4-[(2R)-2-carboxypiperidino]sulfonylbenzoyl]amino]succinic acid Formula: C17H20N2O9S MolecularWeight: 428.4137

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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(CC(=O)O)C(=O)O

Isomeric SMILES

C1CCN([C@H](C1)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)C(=O)N[C@@H](CC(=O)O)C(=O)O

InChI

InChI=1S/C17H20N2O9S/c20-14(21)9-12(16(23)24)18-15(22)10-4-6-11(7-5-10)29(27,28)19-8-2-1-3-13(19)17(25)26/h4-7,12-13H,1-3,8-9H2,(H,18,22)(H,20,21)(H,23,24)(H,25,26)/t12-,13+/m0/s1