2-[2-(5-ethoxycarbonylthiophen-2-yl)-1-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]sulfanylpropanedioic acid

Systemtic Name: 2-[2-(5-ethoxycarbonylthiophen-2-yl)-1-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]sulfanylpropanedioic acid Openeye Name: 2-[1-[(tert-butoxycarbonylamino)methyl]-1-(5-ethoxycarbonyl-2-thienyl)propyl]sulfanylpropanedioic acid CAS Name: 2-[[2-(5-ethoxycarbonyl-2-thiophenyl)-1-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butan-2-yl]thio]propanedioic acid IUPAC Name: 2-[2-(5-ethoxycarbonylthiophen-2-yl)-1-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]sulfanylpropanedioic acid Traditional Name: 2-[[1-[(tert-butoxycarbonylamino)methyl]-1-(5-carbethoxy-2-thienyl)propyl]thio]malonic acid Formula: C19H27NO8S2 MolecularWeight: 461.54958

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)OC(C)(C)C)(C1=CC=C(S1)C(=O)OCC)SC(C(=O)O)C(=O)O

Isomeric SMILES

CCC(CNC(=O)OC(C)(C)C)(C1=CC=C(S1)C(=O)OCC)SC(C(=O)O)C(=O)O

InChI

InChI=1S/C19H27NO8S2/c1-6-19(30-13(14(21)22)15(23)24,10-20-17(26)28-18(3,4)5)12-9-8-11(29-12)16(25)27-7-2/h8-9,13H,6-7,10H2,1-5H3,(H,20,26)(H,21,22)(H,23,24)