[(1R,2S)-1-azanyl-7-naphthalen-1-yl-6-oxidanyl-3-oxidanylidene-2-propan-2-yl-6-(quinolin-8-ylsulfonylamino)heptyl]boronic acid

Systemtic Name: [(1R,2S)-1-azanyl-7-naphthalen-1-yl-6-oxidanyl-3-oxidanylidene-2-propan-2-yl-6-(quinolin-8-ylsulfonylamino)heptyl]boronic acid Openeye Name: [(1R,2S)-1-amino-6-hydroxy-2-isopropyl-7-(1-naphthyl)-3-oxo-6-(8-quinolylsulfonylamino)heptyl]boronic acid CAS Name: [(1R,2S)-1-amino-6-hydroxy-7-(1-naphthalenyl)-3-oxo-2-propan-2-yl-6-(8-quinolinylsulfonylamino)heptyl]boronic acid IUPAC Name: [(1R,2S)-1-amino-6-hydroxy-7-naphthalen-1-yl-3-oxo-2-propan-2-yl-6-(quinolin-8-ylsulfonylamino)heptyl]boronic acid Traditional Name: [(1R,2S)-1-amino-6-hydroxy-2-isopropyl-3-keto-7-(1-naphthyl)-6-(8-quinolylsulfonylamino)heptyl]boronic acid Formula: C29H34BN3O6S MolecularWeight: 563.47276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

B([C@H]([C@H](C(C)C)C(=O)CCC(CC1=CC=CC2=CC=CC=C21)(NS(=O)(=O)C3=CC=CC4=C3N=CC=C4)O)N)(O)O

InChI

InChI=1S/C29H34BN3O6S/c1-19(2)26(28(31)30(36)37)24(34)15-16-29(35,18-22-11-5-9-20-8-3-4-13-23(20)22)33-40(38,39)25-14-6-10-21-12-7-17-32-27(21)25/h3-14,17,19,26,28,33,35-37H,15-16,18,31H2,1-2H3/t26-,28+,29?/m1/s1