disodium 3-[[(2S,4S)-4-sulfanidylpyrrolidin-2-yl]carbonylamino]benzoate

Systemtic Name: disodium 3-[[(2S,4S)-4-sulfanidylpyrrolidin-2-yl]carbonylamino]benzoate Openeye Name: disodium 3-[[(2S,4S)-4-sulfidopyrrolidine-2-carbonyl]amino]benzoate CAS Name: disodium 3-[[oxo-[(2S,4S)-4-sulfido-2-pyrrolidinyl]methyl]amino]benzoate IUPAC Name: disodium 3-[[(2S,4S)-4-sulfidopyrrolidine-2-carbonyl]amino]benzoate Traditional Name: disodium 3-[[(2S,4S)-4-sulfidoprolyl]amino]benzoate Formula: C12H12N2Na2O3S MolecularWeight: 310.27982

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CNC1C(=O)NC2=CC=CC(=C2)C(=O)[O-])[S-].[Na+].[Na+]

Isomeric SMILES

C1[C@@H](CN[C@@H]1C(=O)NC2=CC=CC(=C2)C(=O)[O-])[S-].[Na+].[Na+]

InChI

InChI=1S/C12H14N2O3S.2Na/c15-11(10-5-9(18)6-13-10)14-8-3-1-2-7(4-8)12(16)17;;/h1-4,9-10,13,18H,5-6H2,(H,14,15)(H,16,17);;/q;2*+1/p-2/t9-,10-;;/m0../s1