(2S)-4-methylsulfanyl-2-[(2-propan-2-ylquinazolin-4-yl)amino]butanoic acid

Systemtic Name: (2S)-4-methylsulfanyl-2-[(2-propan-2-ylquinazolin-4-yl)amino]butanoic acid Openeye Name: (2S)-2-[(2-isopropylquinazolin-4-yl)amino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-4-(methylthio)-2-[(2-propan-2-yl-4-quinazolinyl)amino]butanoic acid IUPAC Name: (2S)-4-methylsulfanyl-2-[(2-propan-2-ylquinazolin-4-yl)amino]butanoic acid Traditional Name: (2S)-2-[(2-isopropylquinazolin-4-yl)amino]-4-(methylthio)butyric acid Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=CC=CC=C2C(=N1)NC(CCSC)C(=O)O

Isomeric SMILES

CC(C)C1=NC2=CC=CC=C2C(=N1)N[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