(2S)-2-[(3,3-dimethyl-4H-isoquinolin-1-yl)amino]-3-methyl-pentanoic acid

Systemtic Name: (2S)-2-[(3,3-dimethyl-4H-isoquinolin-1-yl)amino]-3-methyl-pentanoic acid Openeye Name: (2S)-2-[(3,3-dimethyl-4H-isoquinolin-1-yl)amino]-3-methyl-pentanoic acid CAS Name: (2S)-2-[(3,3-dimethyl-4H-isoquinolin-1-yl)amino]-3-methylpentanoic acid IUPAC Name: (2S)-2-[(3,3-dimethyl-4H-isoquinolin-1-yl)amino]-3-methylpentanoic acid Traditional Name: (2S)-2-[(3,3-dimethyl-4H-isoquinolin-1-yl)amino]-3-methyl-valeric acid Formula: C17H24N2O2 MolecularWeight: 288.38466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC1=NC(CC2=CC=CC=C21)(C)C

Isomeric SMILES

CCC(C)[C@@H](C(=O)O)NC1=NC(CC2=CC=CC=C21)(C)C

InChI

InChI=1S/C17H24N2O2/c1-5-11(2)14(16(20)21)18-15-13-9-7-6-8-12(13)10-17(3,4)19-15/h6-9,11,14H,5,10H2,1-4H3,(H,18,19)(H,20,21)/t11?,14-/m0/s1