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

Systemtic Name: [4-(cyclohexylcarbamoyl)-3-[(3-imidazol-1-yl-4-methyl-pentyl)carbamoyl]piperazin-1-yl]-methyl-borinic acid Openeye Name: [4-(cyclohexylcarbamoyl)-3-[(3-imidazol-1-yl-4-methyl-pentyl)carbamoyl]piperazin-1-yl]-methyl-borinic acid CAS Name: [4-[(cyclohexylamino)-oxomethyl]-3-[[[3-(1-imidazolyl)-4-methylpentyl]amino]-oxomethyl]-1-piperazinyl]-methylborinic acid IUPAC Name: [4-(cyclohexylcarbamoyl)-3-[(3-imidazol-1-yl-4-methylpentyl)carbamoyl]piperazin-1-yl]-methylborinic acid Traditional Name: [4-(cyclohexylcarbamoyl)-3-[(3-imidazol-1-yl-4-methyl-pentyl)carbamoyl]piperazino]-methyl-borinic acid Formula: C22H39BN6O3 MolecularWeight: 446.39446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H39BN6O3/c1-17(2)19(27-12-11-24-16-27)9-10-25-21(30)20-15-28(23(3)32)13-14-29(20)22(31)26-18-7-5-4-6-8-18/h11-12,16-20,32H,4-10,13-15H2,1-3H3,(H,25,30)(H,26,31)