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

Systemtic Name: [(2R)-1-[(3R,4R)-4-azanyl-1-naphthalen-2-ylsulfonyl-piperidin-3-yl]carbonylpyrrolidin-2-yl]boronic acid Openeye Name: [(2R)-1-[(3R,4R)-4-amino-1-(2-naphthylsulfonyl)piperidine-3-carbonyl]pyrrolidin-2-yl]boronic acid CAS Name: [(2R)-1-[[(3R,4R)-4-amino-1-(2-naphthalenylsulfonyl)-3-piperidinyl]-oxomethyl]-2-pyrrolidinyl]boronic acid IUPAC Name: [(2R)-1-[(3R,4R)-4-amino-1-naphthalen-2-ylsulfonylpiperidine-3-carbonyl]pyrrolidin-2-yl]boronic acid Traditional Name: [(2R)-1-[(3R,4R)-4-amino-1-(2-naphthylsulfonyl)nipecotoyl]pyrrolidin-2-yl]boronic acid Formula: C20H26BN3O5S MolecularWeight: 431.31354

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Descriptors Computed from Structure

Canonical SMILES:

B(C1CCCN1C(=O)C2CN(CCC2N)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)(O)O

Isomeric SMILES

B([C@@H]1CCCN1C(=O)[C@@H]2CN(CC[C@H]2N)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)(O)O

InChI

InChI=1S/C20H26BN3O5S/c22-18-9-11-23(13-17(18)20(25)24-10-3-6-19(24)21(26)27)30(28,29)16-8-7-14-4-1-2-5-15(14)12-16/h1-2,4-5,7-8,12,17-19,26-27H,3,6,9-11,13,22H2/t17-,18-,19+/m1/s1