methyl-[3-[2-(3-methylimidazol-4-yl)ethylcarbamoyl]-4-phenylmethoxycarbonyl-piperazin-1-yl]borinic acid

Systemtic Name: methyl-[3-[2-(3-methylimidazol-4-yl)ethylcarbamoyl]-4-phenylmethoxycarbonyl-piperazin-1-yl]borinic acid Openeye Name: [4-benzyloxycarbonyl-3-[2-(3-methylimidazol-4-yl)ethylcarbamoyl]piperazin-1-yl]-methyl-borinic acid CAS Name: methyl-[3-[[2-(3-methyl-4-imidazolyl)ethylamino]-oxomethyl]-4-phenylmethoxycarbonyl-1-piperazinyl]borinic acid IUPAC Name: methyl-[3-[2-(3-methylimidazol-4-yl)ethylcarbamoyl]-4-phenylmethoxycarbonylpiperazin-1-yl]borinic acid Traditional Name: [4-carbobenzoxy-3-[2-(3-methylimidazol-4-yl)ethylcarbamoyl]piperazino]-methyl-borinic acid Formula: C20H28BN5O4 MolecularWeight: 413.27842

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Descriptors Computed from Structure

Canonical SMILES:

B(C)(N1CCN(C(C1)C(=O)NCCC2=CN=CN2C)C(=O)OCC3=CC=CC=C3)O

Isomeric SMILES

B(C)(N1CCN(C(C1)C(=O)NCCC2=CN=CN2C)C(=O)OCC3=CC=CC=C3)O

InChI

InChI=1S/C20H28BN5O4/c1-21(29)25-10-11-26(20(28)30-14-16-6-4-3-5-7-16)18(13-25)19(27)23-9-8-17-12-22-15-24(17)2/h3-7,12,15,18,29H,8-11,13-14H2,1-2H3,(H,23,27)