(2S,3S)-3,4-dimethyl-2-[(6-methylquinazolin-4-yl)azaniumyl]pentanoate

Systemtic Name: (2S,3S)-3,4-dimethyl-2-[(6-methylquinazolin-4-yl)azaniumyl]pentanoate Openeye Name: (2S,3S)-3,4-dimethyl-2-[(6-methylquinazolin-4-yl)ammonio]pentanoate CAS Name: (2S,3S)-3,4-dimethyl-2-[(6-methyl-4-quinazolinyl)ammonio]pentanoate IUPAC Name: (2S,3S)-3,4-dimethyl-2-[(6-methylquinazolin-4-yl)azaniumyl]pentanoate Traditional Name: (2S,3S)-3,4-dimethyl-2-[(6-methylquinazolin-4-yl)ammonio]valerate Formula: C16H21N3O2 MolecularWeight: 287.35684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O2/c1-9(2)11(4)14(16(20)21)19-15-12-7-10(3)5-6-13(12)17-8-18-15/h5-9,11,14H,1-4H3,(H,20,21)(H,17,18,19)/t11-,14-/m0/s1