1-[[3-cyclohexyl-2-[2-oxidanylidene-3-(phenylmethoxycarbonylamino)-3-propan-2-yl-piperidin-1-yl]propanoyl]amino]propylboronic acid

Systemtic Name: 1-[[3-cyclohexyl-2-[2-oxidanylidene-3-(phenylmethoxycarbonylamino)-3-propan-2-yl-piperidin-1-yl]propanoyl]amino]propylboronic acid Openeye Name: 1-[[2-[3-(benzyloxycarbonylamino)-3-isopropyl-2-oxo-1-piperidyl]-3-cyclohexyl-propanoyl]amino]propylboronic acid CAS Name: 1-[[3-cyclohexyl-1-oxo-2-[2-oxo-3-(phenylmethoxycarbonylamino)-3-propan-2-yl-1-piperidinyl]propyl]amino]propylboronic acid IUPAC Name: 1-[[3-cyclohexyl-2-[2-oxo-3-(phenylmethoxycarbonylamino)-3-propan-2-ylpiperidin-1-yl]propanoyl]amino]propylboronic acid Traditional Name: 1-[[2-[3-(benzyloxycarbonylamino)-3-isopropyl-2-keto-piperidino]-3-cyclohexyl-propanoyl]amino]propylboronic acid Formula: C28H44BN3O6 MolecularWeight: 529.47646

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Descriptors Computed from Structure

Canonical SMILES:

B(C(CC)NC(=O)C(CC1CCCCC1)N2CCCC(C2=O)(C(C)C)NC(=O)OCC3=CC=CC=C3)(O)O

Isomeric SMILES

B(C(CC)NC(=O)C(CC1CCCCC1)N2CCCC(C2=O)(C(C)C)NC(=O)OCC3=CC=CC=C3)(O)O

InChI

InChI=1S/C28H44BN3O6/c1-4-24(29(36)37)30-25(33)23(18-21-12-7-5-8-13-21)32-17-11-16-28(20(2)3,26(32)34)31-27(35)38-19-22-14-9-6-10-15-22/h6,9-10,14-15,20-21,23-24,36-37H,4-5,7-8,11-13,16-19H2,1-3H3,(H,30,33)(H,31,35)