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

Systemtic Name: (2S)-4-methylsulfanyl-2-[(2-propan-2-ylquinazolin-4-yl)azaniumyl]butanoate Openeye Name: (2S)-2-[(2-isopropylquinazolin-4-yl)ammonio]-4-methylsulfanyl-butanoate CAS Name: (2S)-4-(methylthio)-2-[(2-propan-2-yl-4-quinazolinyl)ammonio]butanoate IUPAC Name: (2S)-4-methylsulfanyl-2-[(2-propan-2-ylquinazolin-4-yl)azaniumyl]butanoate Traditional Name: (2S)-2-[(2-isopropylquinazolin-4-yl)ammonio]-4-(methylthio)butyrate Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=CC=CC=C2C(=N1)[NH2+]C(CCSC)C(=O)[O-]

Isomeric SMILES

CC(C)C1=NC2=CC=CC=C2C(=N1)[NH2+][C@@H](CCSC)C(=O)[O-]

InChI

InChI=1S/C16H21N3O2S/c1-10(2)14-17-12-7-5-4-6-11(12)15(19-14)18-13(16(20)21)8-9-22-3/h4-7,10,13H,8-9H2,1-3H3,(H,20,21)(H,17,18,19)/t13-/m0/s1