sodium; 2-azanyl-1-cyclohexyl-6-methyl-heptane-3,4-diol; 3-carboxy-3,5-bis(oxidanyl)-5-oxidanylidene-pentanoate

Systemtic Name: sodium; 2-azanyl-1-cyclohexyl-6-methyl-heptane-3,4-diol; 3-carboxy-3,5-bis(oxidanyl)-5-oxidanylidene-pentanoate Openeye Name: sodium; 2-amino-1-cyclohexyl-6-methyl-heptane-3,4-diol; 3-carboxy-3,5-dihydroxy-5-oxo-pentanoate CAS Name: sodium; 2-amino-1-cyclohexyl-6-methylheptane-3,4-diol; 3-carboxy-3,5-dihydroxy-5-oxopentanoate IUPAC Name: sodium; 2-amino-1-cyclohexyl-6-methylheptane-3,4-diol; 3-carboxy-3,5-dihydroxy-5-oxopentanoate Traditional Name: sodium; 2-amino-1-cyclohexyl-6-methyl-heptane-3,4-diol; 3-carboxy-3,5-dihydroxy-5-keto-valerate Formula: C20H36NNaO9 MolecularWeight: 457.49091

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(C(CC1CCCCC1)N)O)O.C(C(=O)O)C(CC(=O)[O-])(C(=O)O)O.[Na+]

Isomeric SMILES

CC(C)CC(C(C(CC1CCCCC1)N)O)O.C(C(=O)O)C(CC(=O)[O-])(C(=O)O)O.[Na+]

InChI

InChI=1S/C14H29NO2.C6H8O7.Na/c1-10(2)8-13(16)14(17)12(15)9-11-6-4-3-5-7-11;7-3(8)1-6(13,5(11)12)2-4(9)10;/h10-14,16-17H,3-9,15H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;;+1/p-1