(2S)-2-[(6,7-dimethoxy-3,3-dimethyl-4H-isoquinolin-1-yl)amino]-4-methylsulfanyl-butanoic acid

Systemtic Name: (2S)-2-[(6,7-dimethoxy-3,3-dimethyl-4H-isoquinolin-1-yl)amino]-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-2-[(6,7-dimethoxy-3,3-dimethyl-4H-isoquinolin-1-yl)amino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[(6,7-dimethoxy-3,3-dimethyl-4H-isoquinolin-1-yl)amino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[(6,7-dimethoxy-3,3-dimethyl-4H-isoquinolin-1-yl)amino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[(6,7-dimethoxy-3,3-dimethyl-4H-isoquinolin-1-yl)amino]-4-(methylthio)butyric acid Formula: C18H26N2O4S MolecularWeight: 366.47504

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC(=C(C=C2C(=N1)NC(CCSC)C(=O)O)OC)OC)C

Isomeric SMILES

CC1(CC2=CC(=C(C=C2C(=N1)N[C@@H](CCSC)C(=O)O)OC)OC)C

InChI

InChI=1S/C18H26N2O4S/c1-18(2)10-11-8-14(23-3)15(24-4)9-12(11)16(20-18)19-13(17(21)22)6-7-25-5/h8-9,13H,6-7,10H2,1-5H3,(H,19,20)(H,21,22)/t13-/m0/s1