2-[(3,4-dimethoxyphenyl)-(2-methyl-3-sulfanyl-propanoyl)amino]propanoic acid

Systemtic Name: 2-[(3,4-dimethoxyphenyl)-(2-methyl-3-sulfanyl-propanoyl)amino]propanoic acid Openeye Name: 2-(3,4-dimethoxy-N-(2-methyl-3-sulfanyl-propanoyl)anilino)propanoic acid CAS Name: 2-(N-(3-mercapto-2-methyl-1-oxopropyl)-3,4-dimethoxyanilino)propanoic acid IUPAC Name: 2-(3,4-dimethoxy-N-(2-methyl-3-sulfanylpropanoyl)anilino)propanoic acid Traditional Name: 2-(N-(3-mercapto-2-methyl-propanoyl)-3,4-dimethoxy-anilino)propionic acid Formula: C15H21NO5S MolecularWeight: 327.39594

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)C(=O)N(C1=CC(=C(C=C1)OC)OC)C(C)C(=O)O

Isomeric SMILES

CC(CS)C(=O)N(C1=CC(=C(C=C1)OC)OC)C(C)C(=O)O

InChI

InChI=1S/C15H21NO5S/c1-9(8-22)14(17)16(10(2)15(18)19)11-5-6-12(20-3)13(7-11)21-4/h5-7,9-10,22H,8H2,1-4H3,(H,18,19)