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

Systemtic Name: (2S)-2-[(2-propan-2-ylquinazolin-4-yl)azaniumyl]pentanoate Openeye Name: (2S)-2-[(2-isopropylquinazolin-4-yl)ammonio]pentanoate CAS Name: (2S)-2-[(2-propan-2-yl-4-quinazolinyl)ammonio]pentanoate IUPAC Name: (2S)-2-[(2-propan-2-ylquinazolin-4-yl)azaniumyl]pentanoate Traditional Name: (2S)-2-[(2-isopropylquinazolin-4-yl)ammonio]valerate Formula: C16H21N3O2 MolecularWeight: 287.35684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O2/c1-4-7-13(16(20)21)18-15-11-8-5-6-9-12(11)17-14(19-15)10(2)3/h5-6,8-10,13H,4,7H2,1-3H3,(H,20,21)(H,17,18,19)/t13-/m0/s1