tert-butyl 4-(cyclohexylcarbamoyl)-3-[(3-imidazol-1-yl-2-oxidanyl-propyl)carbamoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(cyclohexylcarbamoyl)-3-[(3-imidazol-1-yl-2-oxidanyl-propyl)carbamoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-(cyclohexylcarbamoyl)-3-[(2-hydroxy-3-imidazol-1-yl-propyl)carbamoyl]piperazine-1-carboxylate CAS Name: 4-[(cyclohexylamino)-oxomethyl]-3-[[[2-hydroxy-3-(1-imidazolyl)propyl]amino]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(cyclohexylcarbamoyl)-3-[(2-hydroxy-3-imidazol-1-ylpropyl)carbamoyl]piperazine-1-carboxylate Traditional Name: 4-(cyclohexylcarbamoyl)-3-[(2-hydroxy-3-imidazol-1-yl-propyl)carbamoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C23H38N6O5 MolecularWeight: 478.58502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(C(C1)C(=O)NCC(CN2C=CN=C2)O)C(=O)NC3CCCCC3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(C(C1)C(=O)NCC(CN2C=CN=C2)O)C(=O)NC3CCCCC3

InChI

InChI=1S/C23H38N6O5/c1-23(2,3)34-22(33)28-11-12-29(21(32)26-17-7-5-4-6-8-17)19(15-28)20(31)25-13-18(30)14-27-10-9-24-16-27/h9-10,16-19,30H,4-8,11-15H2,1-3H3,(H,25,31)(H,26,32)