2-azanyl-4-methylsulfanyl-2-(3,4,5-trimethoxyphenyl)carbonyl-butanoic acid

Systemtic Name: 2-azanyl-4-methylsulfanyl-2-(3,4,5-trimethoxyphenyl)carbonyl-butanoic acid Openeye Name: 2-amino-4-methylsulfanyl-2-(3,4,5-trimethoxybenzoyl)butanoic acid CAS Name: 2-amino-4-(methylthio)-2-[oxo-(3,4,5-trimethoxyphenyl)methyl]butanoic acid IUPAC Name: 2-amino-4-methylsulfanyl-2-(3,4,5-trimethoxybenzoyl)butanoic acid Traditional Name: 2-amino-4-(methylthio)-2-(3,4,5-trimethoxybenzoyl)butyric acid Formula: C15H21NO6S MolecularWeight: 343.39534

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)C(CCSC)(C(=O)O)N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)C(CCSC)(C(=O)O)N

InChI

InChI=1S/C15H21NO6S/c1-20-10-7-9(8-11(21-2)12(10)22-3)13(17)15(16,14(18)19)5-6-23-4/h7-8H,5-6,16H2,1-4H3,(H,18,19)