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

Systemtic Name: (2S)-2-[(2-propan-2-ylquinazolin-4-yl)amino]hexanoic acid Openeye Name: (2S)-2-[(2-isopropylquinazolin-4-yl)amino]hexanoic acid CAS Name: (2S)-2-[(2-propan-2-yl-4-quinazolinyl)amino]hexanoic acid IUPAC Name: (2S)-2-[(2-propan-2-ylquinazolin-4-yl)amino]hexanoic acid Traditional Name: (2S)-2-[(2-isopropylquinazolin-4-yl)amino]hexanoic acid Formula: C17H23N3O2 MolecularWeight: 301.38342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)NC1=NC(=NC2=CC=CC=C21)C(C)C

Isomeric SMILES

CCCC[C@@H](C(=O)O)NC1=NC(=NC2=CC=CC=C21)C(C)C

InChI

InChI=1S/C17H23N3O2/c1-4-5-9-14(17(21)22)19-16-12-8-6-7-10-13(12)18-15(20-16)11(2)3/h6-8,10-11,14H,4-5,9H2,1-3H3,(H,21,22)(H,18,19,20)/t14-/m0/s1