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

Systemtic Name: [4-(cyclohexylcarbamoyl)-3-(3-imidazol-1-ylbutylcarbamoyl)piperazin-1-yl]-methyl-borinic acid Openeye Name: [4-(cyclohexylcarbamoyl)-3-(3-imidazol-1-ylbutylcarbamoyl)piperazin-1-yl]-methyl-borinic acid CAS Name: [4-[(cyclohexylamino)-oxomethyl]-3-[[3-(1-imidazolyl)butylamino]-oxomethyl]-1-piperazinyl]-methylborinic acid IUPAC Name: [4-(cyclohexylcarbamoyl)-3-(3-imidazol-1-ylbutylcarbamoyl)piperazin-1-yl]-methylborinic acid Traditional Name: [4-(cyclohexylcarbamoyl)-3-(3-imidazol-1-ylbutylcarbamoyl)piperazino]-methyl-borinic acid Formula: C20H35BN6O3 MolecularWeight: 418.3413

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H35BN6O3/c1-16(25-11-10-22-15-25)8-9-23-19(28)18-14-26(21(2)30)12-13-27(18)20(29)24-17-6-4-3-5-7-17/h10-11,15-18,30H,3-9,12-14H2,1-2H3,(H,23,28)(H,24,29)