2-[[6-(cyclohexyloxymethyl)-2-methylsulfonyl-pyrimidin-4-yl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[6-(cyclohexyloxymethyl)-2-methylsulfonyl-pyrimidin-4-yl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[6-(cyclohexoxymethyl)-2-methylsulfonyl-pyrimidin-4-yl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[6-(cyclohexyloxymethyl)-2-methylsulfonyl-4-pyrimidinyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[6-(cyclohexyloxymethyl)-2-methylsulfonylpyrimidin-4-yl]amino]-4-methylpentanoic acid Traditional Name: 2-[[6-(cyclohexoxymethyl)-2-mesyl-pyrimidin-4-yl]amino]-4-methyl-valeric acid Formula: C18H29N3O5S MolecularWeight: 399.50496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC1=NC(=NC(=C1)COC2CCCCC2)S(=O)(=O)C

Isomeric SMILES

CC(C)CC(C(=O)O)NC1=NC(=NC(=C1)COC2CCCCC2)S(=O)(=O)C

InChI

InChI=1S/C18H29N3O5S/c1-12(2)9-15(17(22)23)20-16-10-13(19-18(21-16)27(3,24)25)11-26-14-7-5-4-6-8-14/h10,12,14-15H,4-9,11H2,1-3H3,(H,22,23)(H,19,20,21)