2-[2-(3,4-dimethoxyphenyl)ethanoylamino]-3-sulfanyl-propanoic acid

Systemtic Name: 2-[2-(3,4-dimethoxyphenyl)ethanoylamino]-3-sulfanyl-propanoic acid Openeye Name: 2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-3-sulfanyl-propanoic acid CAS Name: 2-[[2-(3,4-dimethoxyphenyl)-1-oxoethyl]amino]-3-mercaptopropanoic acid IUPAC Name: 2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-3-sulfanylpropanoic acid Traditional Name: 2-(homoveratroylamino)-3-mercapto-propionic acid Formula: C13H17NO5S MolecularWeight: 299.34278

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)NC(CS)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)NC(CS)C(=O)O)OC

InChI

InChI=1S/C13H17NO5S/c1-18-10-4-3-8(5-11(10)19-2)6-12(15)14-9(7-20)13(16)17/h3-5,9,20H,6-7H2,1-2H3,(H,14,15)(H,16,17)