2-[[4-(2-carboxypyrrolidin-1-yl)sulfonylphenyl]carbonylamino]butanedioic acid

Systemtic Name: 2-[[4-(2-carboxypyrrolidin-1-yl)sulfonylphenyl]carbonylamino]butanedioic acid Openeye Name: 2-[[4-(2-carboxypyrrolidin-1-yl)sulfonylbenzoyl]amino]butanedioic acid CAS Name: 2-[[[4-[(2-carboxy-1-pyrrolidinyl)sulfonyl]phenyl]-oxomethyl]amino]butanedioic acid IUPAC Name: 2-[[4-(2-carboxypyrrolidin-1-yl)sulfonylbenzoyl]amino]butanedioic acid Traditional Name: 2-[[4-(2-carboxypyrrolidino)sulfonylbenzoyl]amino]succinic acid Formula: C16H18N2O9S MolecularWeight: 414.38712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O9S/c19-13(20)8-11(15(22)23)17-14(21)9-3-5-10(6-4-9)28(26,27)18-7-1-2-12(18)16(24)25/h3-6,11-12H,1-2,7-8H2,(H,17,21)(H,19,20)(H,22,23)(H,24,25)