(2S)-3-methyl-2-[(2-propan-2-ylquinazolin-4-yl)amino]butanoic acid

Systemtic Name: (2S)-3-methyl-2-[(2-propan-2-ylquinazolin-4-yl)amino]butanoic acid Openeye Name: (2S)-2-[(2-isopropylquinazolin-4-yl)amino]-3-methyl-butanoic acid CAS Name: (2S)-3-methyl-2-[(2-propan-2-yl-4-quinazolinyl)amino]butanoic acid IUPAC Name: (2S)-3-methyl-2-[(2-propan-2-ylquinazolin-4-yl)amino]butanoic acid Traditional Name: (2S)-2-[(2-isopropylquinazolin-4-yl)amino]-3-methyl-butyric acid Formula: C16H21N3O2 MolecularWeight: 287.35684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)C1=NC2=CC=CC=C2C(=N1)N[C@@H](C(C)C)C(=O)O

InChI

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