(2S)-2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)carbonylamino]propanoic acid

Systemtic Name: (2S)-2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)carbonylamino]propanoic acid Openeye Name: (2S)-2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]propanoic acid CAS Name: (2S)-2-[[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]propanoic acid Traditional Name: (2S)-2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]propionic acid Formula: C15H20N2O5 MolecularWeight: 308.3297

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)N1CCC2=CC(=C(C=C2C1)OC)OC

Isomeric SMILES

C[C@@H](C(=O)O)NC(=O)N1CCC2=CC(=C(C=C2C1)OC)OC

InChI

InChI=1S/C15H20N2O5/c1-9(14(18)19)16-15(20)17-5-4-10-6-12(21-2)13(22-3)7-11(10)8-17/h6-7,9H,4-5,8H2,1-3H3,(H,16,20)(H,18,19)/t9-/m0/s1