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

Systemtic Name: methyl-[4-phenylmethoxycarbonyl-3-[2-(1-pyrrol-1-ylcyclopropyl)ethylcarbamoyl]piperazin-1-yl]borinic acid Openeye Name: [4-benzyloxycarbonyl-3-[2-(1-pyrrol-1-ylcyclopropyl)ethylcarbamoyl]piperazin-1-yl]-methyl-borinic acid CAS Name: methyl-[3-[oxo-[2-[1-(1-pyrrolyl)cyclopropyl]ethylamino]methyl]-4-phenylmethoxycarbonyl-1-piperazinyl]borinic acid IUPAC Name: methyl-[4-phenylmethoxycarbonyl-3-[2-(1-pyrrol-1-ylcyclopropyl)ethylcarbamoyl]piperazin-1-yl]borinic acid Traditional Name: [4-carbobenzoxy-3-[2-(1-pyrrol-1-ylcyclopropyl)ethylcarbamoyl]piperazino]-methyl-borinic acid Formula: C23H31BN4O4 MolecularWeight: 438.32764

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Descriptors Computed from Structure

Canonical SMILES:

B(C)(N1CCN(C(C1)C(=O)NCCC2(CC2)N3C=CC=C3)C(=O)OCC4=CC=CC=C4)O

Isomeric SMILES

B(C)(N1CCN(C(C1)C(=O)NCCC2(CC2)N3C=CC=C3)C(=O)OCC4=CC=CC=C4)O

InChI

InChI=1S/C23H31BN4O4/c1-24(31)27-15-16-28(22(30)32-18-19-7-3-2-4-8-19)20(17-27)21(29)25-12-11-23(9-10-23)26-13-5-6-14-26/h2-8,13-14,20,31H,9-12,15-18H2,1H3,(H,25,29)