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

Systemtic Name: 2-azanyl-2-(2-azanyl-2-oxidanylidene-ethyl)-6-(5-octylpyridin-2-yl)-3,4-bis(oxidanyl)hexanoic acid Openeye Name: 2-amino-2-(2-amino-2-oxo-ethyl)-3,4-dihydroxy-6-(5-octyl-2-pyridyl)hexanoic acid CAS Name: 2-amino-2-(2-amino-2-oxoethyl)-3,4-dihydroxy-6-(5-octyl-2-pyridinyl)hexanoic acid IUPAC Name: 2-amino-2-(2-amino-2-oxoethyl)-3,4-dihydroxy-6-(5-octylpyridin-2-yl)hexanoic acid Traditional Name: 2-amino-2-(2-amino-2-keto-ethyl)-3,4-dihydroxy-6-(5-octyl-2-pyridyl)hexanoic acid Formula: C21H35N3O5 MolecularWeight: 409.5197

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H35N3O5/c1-2-3-4-5-6-7-8-15-9-10-16(24-14-15)11-12-17(25)19(27)21(23,20(28)29)13-18(22)26/h9-10,14,17,19,25,27H,2-8,11-13,23H2,1H3,(H2,22,26)(H,28,29)