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

Systemtic Name: (2S)-2-[(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)carbonylamino]propanoic acid Openeye Name: (2S)-2-[(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]propanoic acid CAS Name: (2S)-2-[[(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-2-[(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]propanoic acid Traditional Name: (2S)-2-[(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]propionic acid Formula: C21H24N2O5 MolecularWeight: 384.42566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)N1CCC2=CC(=C(C=C2C1C3=CC=CC=C3)OC)OC

Isomeric SMILES

C[C@@H](C(=O)O)NC(=O)N1CCC2=CC(=C(C=C2C1C3=CC=CC=C3)OC)OC

InChI

InChI=1S/C21H24N2O5/c1-13(20(24)25)22-21(26)23-10-9-15-11-17(27-2)18(28-3)12-16(15)19(23)14-7-5-4-6-8-14/h4-8,11-13,19H,9-10H2,1-3H3,(H,22,26)(H,24,25)/t13-,19?/m0/s1