3-[[1-[methyl(oxidanyl)boranyl]-4-sulfanyl-pyrrolidin-2-yl]carbonylamino]benzoic acid

Systemtic Name: 3-[[1-[methyl(oxidanyl)boranyl]-4-sulfanyl-pyrrolidin-2-yl]carbonylamino]benzoic acid Openeye Name: 3-[[1-[hydroxy(methyl)boranyl]-4-sulfanyl-pyrrolidine-2-carbonyl]amino]benzoic acid CAS Name: 3-[[[1-[hydroxy(methyl)boranyl]-4-mercapto-2-pyrrolidinyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[1-[hydroxy(methyl)boranyl]-4-sulfanylpyrrolidine-2-carbonyl]amino]benzoic acid Traditional Name: 3-[[1-[hydroxy(methyl)boranyl]-4-mercapto-prolyl]amino]benzoic acid Formula: C13H17BN2O4S MolecularWeight: 308.16108

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Descriptors Computed from Structure

Canonical SMILES:

B(C)(N1CC(CC1C(=O)NC2=CC=CC(=C2)C(=O)O)S)O

Isomeric SMILES

B(C)(N1CC(CC1C(=O)NC2=CC=CC(=C2)C(=O)O)S)O

InChI

InChI=1S/C13H17BN2O4S/c1-14(20)16-7-10(21)6-11(16)12(17)15-9-4-2-3-8(5-9)13(18)19/h2-5,10-11,20-21H,6-7H2,1H3,(H,15,17)(H,18,19)