2-azanyl-6-(5-octylpyrimidin-2-yl)-3,4,5-tris(oxidanyl)hexanoic acid

Systemtic Name: 2-azanyl-6-(5-octylpyrimidin-2-yl)-3,4,5-tris(oxidanyl)hexanoic acid Openeye Name: 2-amino-3,4,5-trihydroxy-6-(5-octylpyrimidin-2-yl)hexanoic acid CAS Name: 2-amino-3,4,5-trihydroxy-6-(5-octyl-2-pyrimidinyl)hexanoic acid IUPAC Name: 2-amino-3,4,5-trihydroxy-6-(5-octylpyrimidin-2-yl)hexanoic acid Traditional Name: 2-amino-3,4,5-trihydroxy-6-(5-octylpyrimidin-2-yl)hexanoic acid Formula: C18H31N3O5 MolecularWeight: 369.45584

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)CC(C(C(C(C(=O)O)N)O)O)O

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)CC(C(C(C(C(=O)O)N)O)O)O

InChI

InChI=1S/C18H31N3O5/c1-2-3-4-5-6-7-8-12-10-20-14(21-11-12)9-13(22)16(23)17(24)15(19)18(25)26/h10-11,13,15-17,22-24H,2-9,19H2,1H3,(H,25,26)