4-[[4,6-bis[(3-methyl-4-oxidanyl-4-oxidanylidene-butyl)amino]-1,3,5-triazin-2-yl]amino]-2-methyl-butanoic acid

Systemtic Name: 4-[[4,6-bis[(3-methyl-4-oxidanyl-4-oxidanylidene-butyl)amino]-1,3,5-triazin-2-yl]amino]-2-methyl-butanoic acid Openeye Name: 4-[[4,6-bis[(4-hydroxy-3-methyl-4-oxo-butyl)amino]-1,3,5-triazin-2-yl]amino]-2-methyl-butanoic acid CAS Name: 4-[[4,6-bis[(4-hydroxy-3-methyl-4-oxobutyl)amino]-1,3,5-triazin-2-yl]amino]-2-methylbutanoic acid IUPAC Name: 4-[[4,6-bis[(4-hydroxy-3-methyl-4-oxobutyl)amino]-1,3,5-triazin-2-yl]amino]-2-methylbutanoic acid Traditional Name: 4-[[4,6-bis[(4-hydroxy-4-keto-3-methyl-butyl)amino]-s-triazin-2-yl]amino]-2-methyl-butyric acid Formula: C18H30N6O6 MolecularWeight: 426.4674

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCNC1=NC(=NC(=N1)NCCC(C)C(=O)O)NCCC(C)C(=O)O)C(=O)O

Isomeric SMILES

CC(CCNC1=NC(=NC(=N1)NCCC(C)C(=O)O)NCCC(C)C(=O)O)C(=O)O

InChI

InChI=1S/C18H30N6O6/c1-10(13(25)26)4-7-19-16-22-17(20-8-5-11(2)14(27)28)24-18(23-16)21-9-6-12(3)15(29)30/h10-12H,4-9H2,1-3H3,(H,25,26)(H,27,28)(H,29,30)(H3,19,20,21,22,23,24)