1-[[1-[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]pyrrolidin-2-yl]carbonylamino]hexylboronic acid

Systemtic Name: 1-[[1-[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]pyrrolidin-2-yl]carbonylamino]hexylboronic acid Openeye Name: 1-[[1-[2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]pyrrolidine-2-carbonyl]amino]hexylboronic acid CAS Name: 1-[[oxo-[1-[1-oxo-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]-2-pyrrolidinyl]methyl]amino]hexylboronic acid IUPAC Name: 1-[[1-[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]pyrrolidine-2-carbonyl]amino]hexylboronic acid Traditional Name: 1-[[1-[2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]prolyl]amino]hexylboronic acid Formula: C28H38BN3O6 MolecularWeight: 523.42882

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Descriptors Computed from Structure

Canonical SMILES:

B(C(CCCCC)NC(=O)C1CCCN1C(=O)C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)(O)O

Isomeric SMILES

B(C(CCCCC)NC(=O)C1CCCN1C(=O)C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)(O)O

InChI

InChI=1S/C28H38BN3O6/c1-2-3-6-17-25(29(36)37)31-26(33)24-16-11-18-32(24)27(34)23(19-21-12-7-4-8-13-21)30-28(35)38-20-22-14-9-5-10-15-22/h4-5,7-10,12-15,23-25,36-37H,2-3,6,11,16-20H2,1H3,(H,30,35)(H,31,33)