2-[2-[5-(4-aminophenyl)-3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]propoxy]-1,2,4-oxadiazolidin-2-yl]ethanoylamino]pentanedioic acid

Systemtic Name: 2-[2-[5-(4-aminophenyl)-3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]propoxy]-1,2,4-oxadiazolidin-2-yl]ethanoylamino]pentanedioic acid Openeye Name: 2-[[2-[5-(4-aminophenyl)-3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]propoxy]-1,2,4-oxadiazolidin-2-yl]acetyl]amino]pentanedioic acid CAS Name: 2-[[2-[5-(4-aminophenyl)-3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propoxy]-1,2,4-oxadiazolidin-2-yl]-1-oxoethyl]amino]pentanedioic acid IUPAC Name: 2-[[2-[5-(4-aminophenyl)-3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propoxy]-1,2,4-oxadiazolidin-2-yl]acetyl]amino]pentanedioic acid Traditional Name: 2-[[2-[5-(4-aminophenyl)-3-[3-[homoveratryl(methyl)amino]propoxy]-1,2,4-oxadiazolidin-2-yl]acetyl]amino]glutaric acid Formula: C29H41N5O9 MolecularWeight: 603.66394

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCOC1NC(ON1CC(=O)NC(CCC(=O)O)C(=O)O)C2=CC=C(C=C2)N)CCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CN(CCCOC1NC(ON1CC(=O)NC(CCC(=O)O)C(=O)O)C2=CC=C(C=C2)N)CCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C29H41N5O9/c1-33(15-13-19-5-11-23(40-2)24(17-19)41-3)14-4-16-42-29-32-27(20-6-8-21(30)9-7-20)43-34(29)18-25(35)31-22(28(38)39)10-12-26(36)37/h5-9,11,17,22,27,29,32H,4,10,12-16,18,30H2,1-3H3,(H,31,35)(H,36,37)(H,38,39)