(2S)-4-methyl-2-[(2-propan-2-ylquinazolin-4-yl)azaniumyl]pentanoate

Systemtic Name: (2S)-4-methyl-2-[(2-propan-2-ylquinazolin-4-yl)azaniumyl]pentanoate Openeye Name: (2S)-2-[(2-isopropylquinazolin-4-yl)ammonio]-4-methyl-pentanoate CAS Name: (2S)-4-methyl-2-[(2-propan-2-yl-4-quinazolinyl)ammonio]pentanoate IUPAC Name: (2S)-4-methyl-2-[(2-propan-2-ylquinazolin-4-yl)azaniumyl]pentanoate Traditional Name: (2S)-2-[(2-isopropylquinazolin-4-yl)ammonio]-4-methyl-valerate Formula: C17H23N3O2 MolecularWeight: 301.38342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)[O-])[NH2+]C1=NC(=NC2=CC=CC=C21)C(C)C

Isomeric SMILES

CC(C)C[C@@H](C(=O)[O-])[NH2+]C1=NC(=NC2=CC=CC=C21)C(C)C

InChI

InChI=1S/C17H23N3O2/c1-10(2)9-14(17(21)22)19-16-12-7-5-6-8-13(12)18-15(20-16)11(3)4/h5-8,10-11,14H,9H2,1-4H3,(H,21,22)(H,18,19,20)/t14-/m0/s1