2-[[[4-(2-carboxypentylamino)-6-octoxy-1,3,5-triazin-2-yl]amino]methyl]pentanoic acid

Systemtic Name: 2-[[[4-(2-carboxypentylamino)-6-octoxy-1,3,5-triazin-2-yl]amino]methyl]pentanoic acid Openeye Name: 2-[[[4-(2-carboxypentylamino)-6-octoxy-1,3,5-triazin-2-yl]amino]methyl]pentanoic acid CAS Name: 2-[[[4-(2-carboxypentylamino)-6-octoxy-1,3,5-triazin-2-yl]amino]methyl]pentanoic acid IUPAC Name: 2-[[[4-(2-carboxypentylamino)-6-octoxy-1,3,5-triazin-2-yl]amino]methyl]pentanoic acid Traditional Name: 2-[[[4-(2-carboxypentylamino)-6-octoxy-s-triazin-2-yl]amino]methyl]valeric acid Formula: C23H41N5O5 MolecularWeight: 467.60214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=NC(=NC(=N1)NCC(CCC)C(=O)O)NCC(CCC)C(=O)O

Isomeric SMILES

CCCCCCCCOC1=NC(=NC(=N1)NCC(CCC)C(=O)O)NCC(CCC)C(=O)O

InChI

InChI=1S/C23H41N5O5/c1-4-7-8-9-10-11-14-33-23-27-21(24-15-17(12-5-2)19(29)30)26-22(28-23)25-16-18(13-6-3)20(31)32/h17-18H,4-16H2,1-3H3,(H,29,30)(H,31,32)(H2,24,25,26,27,28)