2-[2-(3,4-dimethoxyphenyl)ethyl-(3-ethanoylsulfanyl-2-methyl-propanoyl)amino]ethanoic acid

Systemtic Name: 2-[2-(3,4-dimethoxyphenyl)ethyl-(3-ethanoylsulfanyl-2-methyl-propanoyl)amino]ethanoic acid Openeye Name: 2-[(3-acetylsulfanyl-2-methyl-propanoyl)-[2-(3,4-dimethoxyphenyl)ethyl]amino]acetic acid CAS Name: 2-[[3-(acetylthio)-2-methyl-1-oxopropyl]-[2-(3,4-dimethoxyphenyl)ethyl]amino]acetic acid IUPAC Name: 2-[(3-acetylsulfanyl-2-methylpropanoyl)-[2-(3,4-dimethoxyphenyl)ethyl]amino]acetic acid Traditional Name: 2-[[3-(acetylthio)-2-methyl-propanoyl]-homoveratryl-amino]acetic acid Formula: C18H25NO6S MolecularWeight: 383.4592

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)N(CCC1=CC(=C(C=C1)OC)OC)CC(=O)O

Isomeric SMILES

CC(CSC(=O)C)C(=O)N(CCC1=CC(=C(C=C1)OC)OC)CC(=O)O

InChI

InChI=1S/C18H25NO6S/c1-12(11-26-13(2)20)18(23)19(10-17(21)22)8-7-14-5-6-15(24-3)16(9-14)25-4/h5-6,9,12H,7-8,10-11H2,1-4H3,(H,21,22)