(1-azanyl-3-methyl-butyl)boronic acid; quinolin-8-ylsulfonyl 2-azanyl-3-naphthalen-1-yl-propanoate

Systemtic Name: (1-azanyl-3-methyl-butyl)boronic acid; quinolin-8-ylsulfonyl 2-azanyl-3-naphthalen-1-yl-propanoate Openeye Name: (1-amino-3-methyl-butyl)boronic acid; 8-quinolylsulfonyl 2-amino-3-(1-naphthyl)propanoate CAS Name: (1-amino-3-methylbutyl)boronic acid; 2-amino-3-(1-naphthalenyl)propanoic acid 8-quinolinylsulfonyl ester IUPAC Name: (1-amino-3-methylbutyl)boronic acid; quinolin-8-ylsulfonyl 2-amino-3-naphthalen-1-ylpropanoate Traditional Name: (1-amino-3-methyl-butyl)boronic acid; 2-amino-3-(1-naphthyl)propionic acid 8-quinolylsulfonyl ester Formula: C27H32BN3O6S MolecularWeight: 537.43548

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Descriptors Computed from Structure

Canonical SMILES:

B(C(CC(C)C)N)(O)O.C1=CC=C2C(=C1)C=CC=C2CC(C(=O)OS(=O)(=O)C3=CC=CC4=C3N=CC=C4)N

Isomeric SMILES

B(C(CC(C)C)N)(O)O.C1=CC=C2C(=C1)C=CC=C2CC(C(=O)OS(=O)(=O)C3=CC=CC4=C3N=CC=C4)N

InChI

InChI=1S/C22H18N2O4S.C5H14BNO2/c23-19(14-17-9-3-7-15-6-1-2-11-18(15)17)22(25)28-29(26,27)20-12-4-8-16-10-5-13-24-21(16)20;1-4(2)3-5(7)6(8)9/h1-13,19H,14,23H2;4-5,8-9H,3,7H2,1-2H3