6-[[4,6-bis[(6-oxidanyl-6-oxidanylidene-hexyl)amino]-1,3,5-triazin-2-yl]amino]hexanoic acid

Systemtic Name: 6-[[4,6-bis[(6-oxidanyl-6-oxidanylidene-hexyl)amino]-1,3,5-triazin-2-yl]amino]hexanoic acid Openeye Name: 6-[[4,6-bis[(6-hydroxy-6-oxo-hexyl)amino]-1,3,5-triazin-2-yl]amino]hexanoic acid CAS Name: 6-[[4,6-bis[(6-hydroxy-6-oxohexyl)amino]-1,3,5-triazin-2-yl]amino]hexanoic acid IUPAC Name: 6-[[4,6-bis[(6-hydroxy-6-oxohexyl)amino]-1,3,5-triazin-2-yl]amino]hexanoic acid Traditional Name: 6-[[4,6-bis[(6-hydroxy-6-keto-hexyl)amino]-s-triazin-2-yl]amino]hexanoic acid Formula: C21H36N6O6 MolecularWeight: 468.54714

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Descriptors Computed from Structure

Canonical SMILES:

C(CCC(=O)O)CCNC1=NC(=NC(=N1)NCCCCCC(=O)O)NCCCCCC(=O)O

Isomeric SMILES

C(CCC(=O)O)CCNC1=NC(=NC(=N1)NCCCCCC(=O)O)NCCCCCC(=O)O

InChI

InChI=1S/C21H36N6O6/c28-16(29)10-4-1-7-13-22-19-25-20(23-14-8-2-5-11-17(30)31)27-21(26-19)24-15-9-3-6-12-18(32)33/h1-15H2,(H,28,29)(H,30,31)(H,32,33)(H3,22,23,24,25,26,27)