[(2R)-1-[(3R,4R)-4-azanyl-1-(3-fluorophenyl)sulfonyl-piperidin-3-yl]carbonylpyrrolidin-2-yl]boronic acid

Systemtic Name: [(2R)-1-[(3R,4R)-4-azanyl-1-(3-fluorophenyl)sulfonyl-piperidin-3-yl]carbonylpyrrolidin-2-yl]boronic acid Openeye Name: [(2R)-1-[(3R,4R)-4-amino-1-(3-fluorophenyl)sulfonyl-piperidine-3-carbonyl]pyrrolidin-2-yl]boronic acid CAS Name: [(2R)-1-[[(3R,4R)-4-amino-1-(3-fluorophenyl)sulfonyl-3-piperidinyl]-oxomethyl]-2-pyrrolidinyl]boronic acid IUPAC Name: [(2R)-1-[(3R,4R)-4-amino-1-(3-fluorophenyl)sulfonylpiperidine-3-carbonyl]pyrrolidin-2-yl]boronic acid Traditional Name: [(2R)-1-[(3R,4R)-4-amino-1-(3-fluorophenyl)sulfonyl-nipecotoyl]pyrrolidin-2-yl]boronic acid Formula: C16H23BFN3O5S MolecularWeight: 399.245323

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Descriptors Computed from Structure

Canonical SMILES:

B(C1CCCN1C(=O)C2CN(CCC2N)S(=O)(=O)C3=CC=CC(=C3)F)(O)O

Isomeric SMILES

B([C@@H]1CCCN1C(=O)[C@@H]2CN(CC[C@H]2N)S(=O)(=O)C3=CC=CC(=C3)F)(O)O

InChI

InChI=1S/C16H23BFN3O5S/c18-11-3-1-4-12(9-11)27(25,26)20-8-6-14(19)13(10-20)16(22)21-7-2-5-15(21)17(23)24/h1,3-4,9,13-15,23-24H,2,5-8,10,19H2/t13-,14-,15+/m1/s1