[3-methyl-1-(5-naphthalen-1-ylpentanoylamino)-2-oxidanyl-3-(quinolin-8-ylsulfonylamino)butyl]boronic acid

Systemtic Name: [3-methyl-1-(5-naphthalen-1-ylpentanoylamino)-2-oxidanyl-3-(quinolin-8-ylsulfonylamino)butyl]boronic acid Openeye Name: [2-hydroxy-3-methyl-1-[5-(1-naphthyl)pentanoylamino]-3-(8-quinolylsulfonylamino)butyl]boronic acid CAS Name: [2-hydroxy-3-methyl-1-[[5-(1-naphthalenyl)-1-oxopentyl]amino]-3-(8-quinolinylsulfonylamino)butyl]boronic acid IUPAC Name: [2-hydroxy-3-methyl-1-(5-naphthalen-1-ylpentanoylamino)-3-(quinolin-8-ylsulfonylamino)butyl]boronic acid Traditional Name: [2-hydroxy-3-methyl-1-[5-(1-naphthyl)pentanoylamino]-3-(8-quinolylsulfonylamino)butyl]boronic acid Formula: C29H34BN3O6S MolecularWeight: 563.47276

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Descriptors Computed from Structure

Canonical SMILES:

B(C(C(C(C)(C)NS(=O)(=O)C1=CC=CC2=C1N=CC=C2)O)NC(=O)CCCCC3=CC=CC4=CC=CC=C43)(O)O

Isomeric SMILES

B(C(C(C(C)(C)NS(=O)(=O)C1=CC=CC2=C1N=CC=C2)O)NC(=O)CCCCC3=CC=CC4=CC=CC=C43)(O)O

InChI

InChI=1S/C29H34BN3O6S/c1-29(2,33-40(38,39)24-17-8-14-22-15-9-19-31-26(22)24)27(35)28(30(36)37)32-25(34)18-6-4-11-21-13-7-12-20-10-3-5-16-23(20)21/h3,5,7-10,12-17,19,27-28,33,35-37H,4,6,11,18H2,1-2H3,(H,32,34)