1-azanyl-1-cyclohexyl-5-methyl-hexan-3-ol; sulfo 3-(1H-imidazol-5-yl)-2-(methylamino)propanoate

Systemtic Name: 1-azanyl-1-cyclohexyl-5-methyl-hexan-3-ol; sulfo 3-(1H-imidazol-5-yl)-2-(methylamino)propanoate Openeye Name: 1-amino-1-cyclohexyl-5-methyl-hexan-3-ol; sulfo 3-(1H-imidazol-5-yl)-2-(methylamino)propanoate CAS Name: 1-amino-1-cyclohexyl-5-methyl-3-hexanol; 3-(1H-imidazol-5-yl)-2-(methylamino)propanoic acid sulfo ester IUPAC Name: 1-amino-1-cyclohexyl-5-methylhexan-3-ol; sulfo 3-(1H-imidazol-5-yl)-2-(methylamino)propanoate Traditional Name: 1-amino-1-cyclohexyl-5-methyl-hexan-3-ol; 3-(1H-imidazol-5-yl)-2-(methylamino)propionic acid sulfo ester Formula: C20H38N4O6S MolecularWeight: 462.60392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC(C1CCCCC1)N)O.CNC(CC1=CN=CN1)C(=O)OS(=O)(=O)O

Isomeric SMILES

CC(C)CC(CC(C1CCCCC1)N)O.CNC(CC1=CN=CN1)C(=O)OS(=O)(=O)O

InChI

InChI=1S/C13H27NO.C7H11N3O5S/c1-10(2)8-12(15)9-13(14)11-6-4-3-5-7-11;1-8-6(2-5-3-9-4-10-5)7(11)15-16(12,13)14/h10-13,15H,3-9,14H2,1-2H3;3-4,6,8H,2H2,1H3,(H,9,10)(H,12,13,14)