[3-[(E)-[2-methylpropyl-[2-oxidanylidene-2-[phenylmethoxycarbonylamino(pyridin-3-ylmethyl)amino]ethyl]hydrazinylidene]methyl]phenyl]boronic acid

Systemtic Name: [3-[(E)-[2-methylpropyl-[2-oxidanylidene-2-[phenylmethoxycarbonylamino(pyridin-3-ylmethyl)amino]ethyl]hydrazinylidene]methyl]phenyl]boronic acid Openeye Name: [3-[(E)-[[2-[benzyloxycarbonylamino(3-pyridylmethyl)amino]-2-oxo-ethyl]-isobutyl-hydrazono]methyl]phenyl]boronic acid CAS Name: [3-[(E)-[2-methylpropyl-[2-oxo-2-[phenylmethoxycarbonylamino(3-pyridinylmethyl)amino]ethyl]hydrazinylidene]methyl]phenyl]boronic acid IUPAC Name: [3-[(E)-[2-methylpropyl-[2-oxo-2-[phenylmethoxycarbonylamino(pyridin-3-ylmethyl)amino]ethyl]hydrazinylidene]methyl]phenyl]boronic acid Traditional Name: [3-[(E)-[[2-[benzyloxycarbonylamino(3-pyridylmethyl)amino]-2-keto-ethyl]-isobutyl-hydrazono]methyl]phenyl]boronic acid Formula: C27H32BN5O5 MolecularWeight: 517.38448

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC(=CC=C1)C=NN(CC(C)C)CC(=O)N(CC2=CN=CC=C2)NC(=O)OCC3=CC=CC=C3)(O)O

Isomeric SMILES

B(C1=CC(=CC=C1)/C=N/N(CC(C)C)CC(=O)N(CC2=CN=CC=C2)NC(=O)OCC3=CC=CC=C3)(O)O

InChI

InChI=1S/C27H32BN5O5/c1-21(2)17-32(30-16-23-10-6-12-25(14-23)28(36)37)19-26(34)33(18-24-11-7-13-29-15-24)31-27(35)38-20-22-8-4-3-5-9-22/h3-16,21,36-37H,17-20H2,1-2H3,(H,31,35)/b30-16+