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

Systemtic Name: (2S)-2-[(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)carbonylamino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]-3-methylbutanoic acid Traditional Name: (2S)-2-[(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]-3-methyl-butyric acid Formula: C23H28N2O5 MolecularWeight: 412.47882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O5/c1-14(2)20(22(26)27)24-23(28)25-11-10-16-12-18(29-3)19(30-4)13-17(16)21(25)15-8-6-5-7-9-15/h5-9,12-14,20-21H,10-11H2,1-4H3,(H,24,28)(H,26,27)/t20-,21?/m0/s1