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

Systemtic Name: (2S)-2-[[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-2-[[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[[[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]amino]-4-(methylthio)butyric acid Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)NC(CCSC)C(=O)O)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C2[C@H](N(CCC2=C1)C(=O)N[C@@H](CCSC)C(=O)O)C3=CC=CC=C3)OC

InChI

InChI=1S/C23H28N2O5S/c1-29-19-13-16-9-11-25(23(28)24-18(22(26)27)10-12-31-3)21(15-7-5-4-6-8-15)17(16)14-20(19)30-2/h4-8,13-14,18,21H,9-12H2,1-3H3,(H,24,28)(H,26,27)/t18-,21+/m0/s1