(NZ)-N-[[[3-[(2,3-diphenylpropanoylamino)methyl]phenyl]amino]-[[methyl(oxidanyl)boranyl]amino]methylidene]-methyl-boronamidic acid

Systemtic Name: (NZ)-N-[[[3-[(2,3-diphenylpropanoylamino)methyl]phenyl]amino]-[[methyl(oxidanyl)boranyl]amino]methylidene]-methyl-boronamidic acid Openeye Name: (NZ)-N-[[3-[(2,3-diphenylpropanoylamino)methyl]anilino]-[[hydroxy(methyl)boranyl]amino]methylene]-methyl-boronamidic acid CAS Name: (NZ)-N-[[[hydroxy(methyl)boranyl]amino]-[3-[[(1-oxo-2,3-diphenylpropyl)amino]methyl]anilino]methylidene]-methylboronamidic acid IUPAC Name: (NZ)-N-[[3-[(2,3-diphenylpropanoylamino)methyl]anilino]-[[hydroxy(methyl)boranyl]amino]methylidene]-methylboronamidic acid Traditional Name: (NZ)-N-[[3-[(2,3-diphenylpropanoylamino)methyl]anilino]-[[hydroxy(methyl)boranyl]amino]methylene]-methyl-boronamidic acid Formula: C25H30B2N4O3 MolecularWeight: 456.1527

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Descriptors Computed from Structure

Canonical SMILES:

B(C)(NC(=NB(C)O)NC1=CC=CC(=C1)CNC(=O)C(CC2=CC=CC=C2)C3=CC=CC=C3)O

Isomeric SMILES

B(C)(N/C(=N/B(C)O)/NC1=CC=CC(=C1)CNC(=O)C(CC2=CC=CC=C2)C3=CC=CC=C3)O

InChI

InChI=1S/C25H30B2N4O3/c1-26(33)30-25(31-27(2)34)29-22-15-9-12-20(16-22)18-28-24(32)23(21-13-7-4-8-14-21)17-19-10-5-3-6-11-19/h3-16,23,33-34H,17-18H2,1-2H3,(H,28,32)(H2,29,30,31)