[3-methyl-1-[5-naphthalen-1-ylpentanoyl-(quinolin-8-ylsulfonylamino)amino]butyl]boronic acid

Systemtic Name: [3-methyl-1-[5-naphthalen-1-ylpentanoyl-(quinolin-8-ylsulfonylamino)amino]butyl]boronic acid Openeye Name: [3-methyl-1-[5-(1-naphthyl)pentanoyl-(8-quinolylsulfonylamino)amino]butyl]boronic acid CAS Name: [3-methyl-1-[[5-(1-naphthalenyl)-1-oxopentyl]-(8-quinolinylsulfonylamino)amino]butyl]boronic acid IUPAC Name: [3-methyl-1-[5-naphthalen-1-ylpentanoyl-(quinolin-8-ylsulfonylamino)amino]butyl]boronic acid Traditional Name: [3-methyl-1-[5-(1-naphthyl)pentanoyl-(8-quinolylsulfonylamino)amino]butyl]boronic acid Formula: C29H34BN3O5S MolecularWeight: 547.47336

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Descriptors Computed from Structure

Canonical SMILES:

B(C(CC(C)C)N(C(=O)CCCCC1=CC=CC2=CC=CC=C21)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4)(O)O

Isomeric SMILES

B(C(CC(C)C)N(C(=O)CCCCC1=CC=CC2=CC=CC=C21)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4)(O)O

InChI

InChI=1S/C29H34BN3O5S/c1-21(2)20-27(30(35)36)33(32-39(37,38)26-17-8-14-24-15-9-19-31-29(24)26)28(34)18-6-4-11-23-13-7-12-22-10-3-5-16-25(22)23/h3,5,7-10,12-17,19,21,27,32,35-36H,4,6,11,18,20H2,1-2H3