2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]-3-methyl-2-[3-[(3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)amino]propylamino]butanoic acid

Systemtic Name: 2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]-3-methyl-2-[3-[(3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)amino]propylamino]butanoic acid Openeye Name: 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-2-[3-[(1-carboxy-2-methyl-propyl)amino]propylamino]-3-methyl-butanoic acid CAS Name: 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-2-[3-[(1-hydroxy-3-methyl-1-oxobutan-2-yl)amino]propylamino]-3-methylbutanoic acid IUPAC Name: 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-2-[3-[(1-hydroxy-3-methyl-1-oxobutan-2-yl)amino]propylamino]-3-methylbutanoic acid Traditional Name: 2-[(2-amino-6-keto-3H-purin-9-yl)methoxy]-2-[3-[(1-carboxy-2-methyl-propyl)amino]propylamino]-3-methyl-butyric acid Formula: C19H31N7O6 MolecularWeight: 453.49274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NCCCNC(C(C)C)(C(=O)O)OCN1C=NC2=C1NC(=NC2=O)N

Isomeric SMILES

CC(C)C(C(=O)O)NCCCNC(C(C)C)(C(=O)O)OCN1C=NC2=C1NC(=NC2=O)N

InChI

InChI=1S/C19H31N7O6/c1-10(2)12(16(28)29)21-6-5-7-23-19(11(3)4,17(30)31)32-9-26-8-22-13-14(26)24-18(20)25-15(13)27/h8,10-12,21,23H,5-7,9H2,1-4H3,(H,28,29)(H,30,31)(H3,20,24,25,27)