[3-methyl-1-[[3-naphthalen-1-yl-2-(quinolin-8-ylsulfonylamino)propanoyl]amino]butyl]boronic acid

Systemtic Name: [3-methyl-1-[[3-naphthalen-1-yl-2-(quinolin-8-ylsulfonylamino)propanoyl]amino]butyl]boronic acid Openeye Name: [3-methyl-1-[[3-(1-naphthyl)-2-(8-quinolylsulfonylamino)propanoyl]amino]butyl]boronic acid CAS Name: [3-methyl-1-[[3-(1-naphthalenyl)-1-oxo-2-(8-quinolinylsulfonylamino)propyl]amino]butyl]boronic acid IUPAC Name: [3-methyl-1-[[3-naphthalen-1-yl-2-(quinolin-8-ylsulfonylamino)propanoyl]amino]butyl]boronic acid Traditional Name: [3-methyl-1-[[3-(1-naphthyl)-2-(8-quinolylsulfonylamino)propanoyl]amino]butyl]boronic acid Formula: C27H30BN3O5S MolecularWeight: 519.4202

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Descriptors Computed from Structure

Canonical SMILES:

B(C(CC(C)C)NC(=O)C(CC1=CC=CC2=CC=CC=C21)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4)(O)O

Isomeric SMILES

B(C(CC(C)C)NC(=O)C(CC1=CC=CC2=CC=CC=C21)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4)(O)O

InChI

InChI=1S/C27H30BN3O5S/c1-18(2)16-25(28(33)34)30-27(32)23(17-21-11-5-9-19-8-3-4-13-22(19)21)31-37(35,36)24-14-6-10-20-12-7-15-29-26(20)24/h3-15,18,23,25,31,33-34H,16-17H2,1-2H3,(H,30,32)