(2S)-3-methyl-2-[(2-methylquinazolin-4-yl)azaniumyl]butanoate

Systemtic Name: (2S)-3-methyl-2-[(2-methylquinazolin-4-yl)azaniumyl]butanoate Openeye Name: (2S)-3-methyl-2-[(2-methylquinazolin-4-yl)ammonio]butanoate CAS Name: (2S)-3-methyl-2-[(2-methyl-4-quinazolinyl)ammonio]butanoate IUPAC Name: (2S)-3-methyl-2-[(2-methylquinazolin-4-yl)azaniumyl]butanoate Traditional Name: (2S)-3-methyl-2-[(2-methylquinazolin-4-yl)ammonio]butyrate Formula: C14H17N3O2 MolecularWeight: 259.30368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=N1)[NH2+]C(C(C)C)C(=O)[O-]

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=N1)[NH2+][C@@H](C(C)C)C(=O)[O-]

InChI

InChI=1S/C14H17N3O2/c1-8(2)12(14(18)19)17-13-10-6-4-5-7-11(10)15-9(3)16-13/h4-8,12H,1-3H3,(H,18,19)(H,15,16,17)/t12-/m0/s1