(2S)-4-methyl-2-[(6-methylquinazolin-4-yl)azaniumyl]pentanoate

Systemtic Name: (2S)-4-methyl-2-[(6-methylquinazolin-4-yl)azaniumyl]pentanoate Openeye Name: (2S)-4-methyl-2-[(6-methylquinazolin-4-yl)ammonio]pentanoate CAS Name: (2S)-4-methyl-2-[(6-methyl-4-quinazolinyl)ammonio]pentanoate IUPAC Name: (2S)-4-methyl-2-[(6-methylquinazolin-4-yl)azaniumyl]pentanoate Traditional Name: (2S)-4-methyl-2-[(6-methylquinazolin-4-yl)ammonio]valerate Formula: C15H19N3O2 MolecularWeight: 273.33026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=CN=C2[NH2+]C(CC(C)C)C(=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=CN=C2[NH2+][C@@H](CC(C)C)C(=O)[O-]

InChI

InChI=1S/C15H19N3O2/c1-9(2)6-13(15(19)20)18-14-11-7-10(3)4-5-12(11)16-8-17-14/h4-5,7-9,13H,6H2,1-3H3,(H,19,20)(H,16,17,18)/t13-/m0/s1