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

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

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Descriptors Computed from Structure

Canonical SMILES:

C(CCC(=O)O)CC(C1=NC(=NC(=N1)C(CCCCC(=O)O)N)C(CCCCC(=O)O)N)N

Isomeric SMILES

C(CCC(=O)O)CC(C1=NC(=NC(=N1)C(CCCCC(=O)O)N)C(CCCCC(=O)O)N)N

InChI

InChI=1S/C21H36N6O6/c22-13(7-1-4-10-16(28)29)19-25-20(14(23)8-2-5-11-17(30)31)27-21(26-19)15(24)9-3-6-12-18(32)33/h13-15H,1-12,22-24H2,(H,28,29)(H,30,31)(H,32,33)