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

Systemtic Name: (2S)-2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)carbonylamino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]-3-methylbutanoic acid Traditional Name: (2S)-2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]-3-methyl-butyric acid Formula: C17H24N2O5 MolecularWeight: 336.38286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O5/c1-10(2)15(16(20)21)18-17(22)19-6-5-11-7-13(23-3)14(24-4)8-12(11)9-19/h7-8,10,15H,5-6,9H2,1-4H3,(H,18,22)(H,20,21)/t15-/m0/s1