[6-azanyl-6-cyclohexyl-9-(1H-imidazol-5-yl)-2-methyl-8-(methylamino)-7-oxidanylidene-nonan-4-yl] methanesulfonate

Systemtic Name: [6-azanyl-6-cyclohexyl-9-(1H-imidazol-5-yl)-2-methyl-8-(methylamino)-7-oxidanylidene-nonan-4-yl] methanesulfonate Openeye Name: [3-amino-3-cyclohexyl-6-(1H-imidazol-5-yl)-1-isobutyl-5-(methylamino)-4-oxo-hexyl] methanesulfonate CAS Name: methanesulfonic acid [6-amino-6-cyclohexyl-9-(1H-imidazol-5-yl)-2-methyl-8-(methylamino)-7-oxononan-4-yl] ester IUPAC Name: [6-amino-6-cyclohexyl-9-(1H-imidazol-5-yl)-2-methyl-8-(methylamino)-7-oxononan-4-yl] methanesulfonate Traditional Name: methanesulfonic acid [3-amino-3-cyclohexyl-6-(1H-imidazol-5-yl)-1-isobutyl-4-keto-5-(methylamino)hexyl] ester Formula: C21H38N4O4S MolecularWeight: 442.61582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC(C1CCCCC1)(C(=O)C(CC2=CN=CN2)NC)N)OS(=O)(=O)C

Isomeric SMILES

CC(C)CC(CC(C1CCCCC1)(C(=O)C(CC2=CN=CN2)NC)N)OS(=O)(=O)C

InChI

InChI=1S/C21H38N4O4S/c1-15(2)10-18(29-30(4,27)28)12-21(22,16-8-6-5-7-9-16)20(26)19(23-3)11-17-13-24-14-25-17/h13-16,18-19,23H,5-12,22H2,1-4H3,(H,24,25)