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

Systemtic Name: (2S)-2-[(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)carbonylamino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]-4-methyl-valeric acid Formula: C24H30N2O5 MolecularWeight: 426.5054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O5/c1-15(2)12-19(23(27)28)25-24(29)26-11-10-17-13-20(30-3)21(31-4)14-18(17)22(26)16-8-6-5-7-9-16/h5-9,13-15,19,22H,10-12H2,1-4H3,(H,25,29)(H,27,28)/t19-,22?/m0/s1