3-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-3-[2-(3,4-dimethoxyphenyl)-2-oxo-ethyl]sulfanyl-propanoic acid CAS Name: 3-[[2-(3,4-dimethoxyphenyl)-2-oxoethyl]thio]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: 3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-3-[[2-(3,4-dimethoxyphenyl)-2-keto-ethyl]thio]propionic acid Formula: C18H25NO7S MolecularWeight: 399.4586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CSCC(=O)C1=CC(=C(C=C1)OC)OC)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CSCC(=O)C1=CC(=C(C=C1)OC)OC)C(=O)O

InChI

InChI=1S/C18H25NO7S/c1-18(2,3)26-17(23)19-12(16(21)22)9-27-10-13(20)11-6-7-14(24-4)15(8-11)25-5/h6-8,12H,9-10H2,1-5H3,(H,19,23)(H,21,22)