[3-[(3-imidazol-1-yl-3-methyl-butyl)carbamoyl]-4-phenylmethoxycarbonyl-piperazin-1-yl]-methyl-borinic acid

Systemtic Name: [3-[(3-imidazol-1-yl-3-methyl-butyl)carbamoyl]-4-phenylmethoxycarbonyl-piperazin-1-yl]-methyl-borinic acid Openeye Name: [4-benzyloxycarbonyl-3-[(3-imidazol-1-yl-3-methyl-butyl)carbamoyl]piperazin-1-yl]-methyl-borinic acid CAS Name: [3-[[[3-(1-imidazolyl)-3-methylbutyl]amino]-oxomethyl]-4-phenylmethoxycarbonyl-1-piperazinyl]-methylborinic acid IUPAC Name: [3-[(3-imidazol-1-yl-3-methylbutyl)carbamoyl]-4-phenylmethoxycarbonylpiperazin-1-yl]-methylborinic acid Traditional Name: [4-carbobenzoxy-3-[(3-imidazol-1-yl-3-methyl-butyl)carbamoyl]piperazino]-methyl-borinic acid Formula: C22H32BN5O4 MolecularWeight: 441.33158

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Descriptors Computed from Structure

Canonical SMILES:

B(C)(N1CCN(C(C1)C(=O)NCCC(C)(C)N2C=CN=C2)C(=O)OCC3=CC=CC=C3)O

Isomeric SMILES

B(C)(N1CCN(C(C1)C(=O)NCCC(C)(C)N2C=CN=C2)C(=O)OCC3=CC=CC=C3)O

InChI

InChI=1S/C22H32BN5O4/c1-22(2,26-12-11-24-17-26)9-10-25-20(29)19-15-27(23(3)31)13-14-28(19)21(30)32-16-18-7-5-4-6-8-18/h4-8,11-12,17,19,31H,9-10,13-16H2,1-3H3,(H,25,29)