3-[[4-[4-(2-carboxyethylsulfanylcarbonylamino)-3-methoxy-phenyl]-3-methoxy-phenyl]carbamoylsulfanyl]propanoic acid

Systemtic Name: 3-[[4-[4-(2-carboxyethylsulfanylcarbonylamino)-3-methoxy-phenyl]-3-methoxy-phenyl]carbamoylsulfanyl]propanoic acid Openeye Name: 3-[[4-[4-(2-carboxyethylsulfanylcarbonylamino)-3-methoxy-phenyl]-3-methoxy-phenyl]carbamoylsulfanyl]propanoic acid CAS Name: 3-[[[4-[4-[[(2-carboxyethylthio)-oxomethyl]amino]-3-methoxyphenyl]-3-methoxyanilino]-oxomethyl]thio]propanoic acid IUPAC Name: 3-[[4-[4-(2-carboxyethylsulfanylcarbonylamino)-3-methoxyphenyl]-3-methoxyphenyl]carbamoylsulfanyl]propanoic acid Traditional Name: 3-[[4-[4-[(2-carboxyethylthio)carbonylamino]-3-methoxy-phenyl]-3-methoxy-phenyl]carbamoylthio]propionic acid Formula: C22H24N2O8S2 MolecularWeight: 508.56456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O8S2/c1-31-17-12-14(23-21(29)33-9-7-19(25)26)4-5-15(17)13-3-6-16(18(11-13)32-2)24-22(30)34-10-8-20(27)28/h3-6,11-12H,7-10H2,1-2H3,(H,23,29)(H,24,30)(H,25,26)(H,27,28)