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

Systemtic Name: [4-(cyclohexylcarbamoyl)-3-[(3-imidazol-1-yl-3-methyl-butyl)carbamoyl]piperazin-1-yl]-methyl-borinic acid Openeye Name: [4-(cyclohexylcarbamoyl)-3-[(3-imidazol-1-yl-3-methyl-butyl)carbamoyl]piperazin-1-yl]-methyl-borinic acid CAS Name: [4-[(cyclohexylamino)-oxomethyl]-3-[[[3-(1-imidazolyl)-3-methylbutyl]amino]-oxomethyl]-1-piperazinyl]-methylborinic acid IUPAC Name: [4-(cyclohexylcarbamoyl)-3-[(3-imidazol-1-yl-3-methylbutyl)carbamoyl]piperazin-1-yl]-methylborinic acid Traditional Name: [4-(cyclohexylcarbamoyl)-3-[(3-imidazol-1-yl-3-methyl-butyl)carbamoyl]piperazino]-methyl-borinic acid Formula: C21H37BN6O3 MolecularWeight: 432.36788

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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)NC3CCCCC3)O

Isomeric SMILES

B(C)(N1CCN(C(C1)C(=O)NCCC(C)(C)N2C=CN=C2)C(=O)NC3CCCCC3)O

InChI

InChI=1S/C21H37BN6O3/c1-21(2,26-12-11-23-16-26)9-10-24-19(29)18-15-27(22(3)31)13-14-28(18)20(30)25-17-7-5-4-6-8-17/h11-12,16-18,31H,4-10,13-15H2,1-3H3,(H,24,29)(H,25,30)