[7-oxidanylidene-6-(phenylmethoxycarbonylamino)-7-[(3-phenylphenyl)amino]heptyl]boronic acid

Systemtic Name: [7-oxidanylidene-6-(phenylmethoxycarbonylamino)-7-[(3-phenylphenyl)amino]heptyl]boronic acid Openeye Name: [6-(benzyloxycarbonylamino)-7-oxo-7-(3-phenylanilino)heptyl]boronic acid CAS Name: [7-oxo-7-(3-phenylanilino)-6-(phenylmethoxycarbonylamino)heptyl]boronic acid IUPAC Name: [7-oxo-7-(3-phenylanilino)-6-(phenylmethoxycarbonylamino)heptyl]boronic acid Traditional Name: [6-(benzyloxycarbonylamino)-7-keto-7-(3-phenylanilino)heptyl]boronic acid Formula: C27H31BN2O5 MolecularWeight: 474.35644

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Descriptors Computed from Structure

Canonical SMILES:

B(CCCCCC(C(=O)NC1=CC=CC(=C1)C2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)(O)O

Isomeric SMILES

B(CCCCCC(C(=O)NC1=CC=CC(=C1)C2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)(O)O

InChI

InChI=1S/C27H31BN2O5/c31-26(29-24-16-10-15-23(19-24)22-13-6-2-7-14-22)25(17-8-3-9-18-28(33)34)30-27(32)35-20-21-11-4-1-5-12-21/h1-2,4-7,10-16,19,25,33-34H,3,8-9,17-18,20H2,(H,29,31)(H,30,32)