[5-[(2S)-3-oxidanylidene-3-phenylmethoxy-2-(phenylmethoxycarbonylamino)propyl]-2-phenylmethoxy-phenyl]boronic acid

Systemtic Name: [5-[(2S)-3-oxidanylidene-3-phenylmethoxy-2-(phenylmethoxycarbonylamino)propyl]-2-phenylmethoxy-phenyl]boronic acid Openeye Name: [2-benzyloxy-5-[(2S)-3-benzyloxy-2-(benzyloxycarbonylamino)-3-oxo-propyl]phenyl]boronic acid CAS Name: [5-[(2S)-3-oxo-3-phenylmethoxy-2-(phenylmethoxycarbonylamino)propyl]-2-phenylmethoxyphenyl]boronic acid IUPAC Name: [5-[(2S)-3-oxo-3-phenylmethoxy-2-(phenylmethoxycarbonylamino)propyl]-2-phenylmethoxyphenyl]boronic acid Traditional Name: [2-benzoxy-5-[(2S)-3-benzoxy-2-(benzyloxycarbonylamino)-3-keto-propyl]phenyl]boronic acid Formula: C31H30BNO7 MolecularWeight: 539.3834

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=C(C=CC(=C1)CC(C(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)OCC4=CC=CC=C4)(O)O

Isomeric SMILES

B(C1=C(C=CC(=C1)C[C@@H](C(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)OCC4=CC=CC=C4)(O)O

InChI

InChI=1S/C31H30BNO7/c34-30(39-21-24-12-6-2-7-13-24)28(33-31(35)40-22-25-14-8-3-9-15-25)19-26-16-17-29(27(18-26)32(36)37)38-20-23-10-4-1-5-11-23/h1-18,28,36-37H,19-22H2,(H,33,35)/t28-/m0/s1