2-azanyl-2-(2-azanyl-2-oxidanylidene-ethyl)-6-(5-octylpyrimidin-2-yl)-3,4-bis(oxidanyl)hexanoic acid

Systemtic Name: 2-azanyl-2-(2-azanyl-2-oxidanylidene-ethyl)-6-(5-octylpyrimidin-2-yl)-3,4-bis(oxidanyl)hexanoic acid Openeye Name: 2-amino-2-(2-amino-2-oxo-ethyl)-3,4-dihydroxy-6-(5-octylpyrimidin-2-yl)hexanoic acid CAS Name: 2-amino-2-(2-amino-2-oxoethyl)-3,4-dihydroxy-6-(5-octyl-2-pyrimidinyl)hexanoic acid IUPAC Name: 2-amino-2-(2-amino-2-oxoethyl)-3,4-dihydroxy-6-(5-octylpyrimidin-2-yl)hexanoic acid Traditional Name: 2-amino-2-(2-amino-2-keto-ethyl)-3,4-dihydroxy-6-(5-octylpyrimidin-2-yl)hexanoic acid Formula: C20H34N4O5 MolecularWeight: 410.50776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H34N4O5/c1-2-3-4-5-6-7-8-14-12-23-17(24-13-14)10-9-15(25)18(27)20(22,19(28)29)11-16(21)26/h12-13,15,18,25,27H,2-11,22H2,1H3,(H2,21,26)(H,28,29)