3-[[3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]propanoic acid; 2-(methylamino)-N-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]ethanamide

Systemtic Name: 3-[[3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]propanoic acid; 2-(methylamino)-N-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]ethanamide Openeye Name: 3-[(2,4-dihydroxy-3,3-dimethyl-butanoyl)amino]propanoic acid; N-(1-isobutylimidazo[4,5-c]quinolin-4-yl)-2-(methylamino)acetamide CAS Name: 3-[(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)amino]propanoic acid; 2-(methylamino)-N-[1-(2-methylpropyl)-4-imidazo[4,5-c]quinolinyl]acetamide IUPAC Name: 3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoic acid; 2-(methylamino)-N-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]acetamide Traditional Name: 3-[(2,4-dihydroxy-3,3-dimethyl-butanoyl)amino]propionic acid; N-(1-isobutylimidazo[4,5-c]quinolin-4-yl)-2-(methylamino)acetamide Formula: C26H38N6O6 MolecularWeight: 530.61652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=NC2=C1C3=CC=CC=C3N=C2NC(=O)CNC.CC(C)(CO)C(C(=O)NCCC(=O)O)O

Isomeric SMILES

CC(C)CN1C=NC2=C1C3=CC=CC=C3N=C2NC(=O)CNC.CC(C)(CO)C(C(=O)NCCC(=O)O)O

InChI

InChI=1S/C17H21N5O.C9H17NO5/c1-11(2)9-22-10-19-15-16(22)12-6-4-5-7-13(12)20-17(15)21-14(23)8-18-3;1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h4-7,10-11,18H,8-9H2,1-3H3,(H,20,21,23);7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)