3-(3,4-dimethoxyphenyl)carbonylsulfanyl-2-[(3,4,5-trimethoxyphenyl)carbonylamino]propanoic acid

Systemtic Name: 3-(3,4-dimethoxyphenyl)carbonylsulfanyl-2-[(3,4,5-trimethoxyphenyl)carbonylamino]propanoic acid Openeye Name: 3-(3,4-dimethoxybenzoyl)sulfanyl-2-[(3,4,5-trimethoxybenzoyl)amino]propanoic acid CAS Name: 3-[[(3,4-dimethoxyphenyl)-oxomethyl]thio]-2-[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]propanoic acid IUPAC Name: 3-(3,4-dimethoxybenzoyl)sulfanyl-2-[(3,4,5-trimethoxybenzoyl)amino]propanoic acid Traditional Name: 2-[(3,4,5-trimethoxybenzoyl)amino]-3-(veratroylthio)propionic acid Formula: C22H25NO9S MolecularWeight: 479.5002

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)SCC(C(=O)O)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)SCC(C(=O)O)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC)OC

InChI

InChI=1S/C22H25NO9S/c1-28-15-7-6-12(8-16(15)29-2)22(27)33-11-14(21(25)26)23-20(24)13-9-17(30-3)19(32-5)18(10-13)31-4/h6-10,14H,11H2,1-5H3,(H,23,24)(H,25,26)