(2S)-2-[[2-[(dimethylazaniumyl)methyl]quinazolin-4-yl]amino]-4-methyl-pentanoate

Systemtic Name: (2S)-2-[[2-[(dimethylazaniumyl)methyl]quinazolin-4-yl]amino]-4-methyl-pentanoate Openeye Name: (2S)-2-[[2-[(dimethylammonio)methyl]quinazolin-4-yl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[2-[(dimethylammonio)methyl]-4-quinazolinyl]amino]-4-methylpentanoate IUPAC Name: (2S)-2-[[2-[(dimethylazaniumyl)methyl]quinazolin-4-yl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[2-[(dimethylammonio)methyl]quinazolin-4-yl]amino]-4-methyl-valerate Formula: C17H24N4O2 MolecularWeight: 316.39806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)[O-])NC1=NC(=NC2=CC=CC=C21)C[NH+](C)C

Isomeric SMILES

CC(C)C[C@@H](C(=O)[O-])NC1=NC(=NC2=CC=CC=C21)C[NH+](C)C

InChI

InChI=1S/C17H24N4O2/c1-11(2)9-14(17(22)23)19-16-12-7-5-6-8-13(12)18-15(20-16)10-21(3)4/h5-8,11,14H,9-10H2,1-4H3,(H,22,23)(H,18,19,20)/t14-/m0/s1