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

Systemtic Name: (2S)-2-[(3,3-dimethyl-4H-isoquinolin-1-yl)amino]propanoic acid Openeye Name: (2S)-2-[(3,3-dimethyl-4H-isoquinolin-1-yl)amino]propanoic acid CAS Name: (2S)-2-[(3,3-dimethyl-4H-isoquinolin-1-yl)amino]propanoic acid IUPAC Name: (2S)-2-[(3,3-dimethyl-4H-isoquinolin-1-yl)amino]propanoic acid Traditional Name: (2S)-2-[(3,3-dimethyl-4H-isoquinolin-1-yl)amino]propionic acid Formula: C14H18N2O2 MolecularWeight: 246.30492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O2/c1-9(13(17)18)15-12-11-7-5-4-6-10(11)8-14(2,3)16-12/h4-7,9H,8H2,1-3H3,(H,15,16)(H,17,18)/t9-/m0/s1