2-[[6-(2-carboxy-3-oxidanyl-3-oxidanylidene-propyl)-5-piperazin-1-yl-pyridin-2-yl]methyl]propanedioic acid

Systemtic Name: 2-[[6-(2-carboxy-3-oxidanyl-3-oxidanylidene-propyl)-5-piperazin-1-yl-pyridin-2-yl]methyl]propanedioic acid Openeye Name: 2-[[6-(2-carboxy-3-hydroxy-3-oxo-propyl)-5-piperazin-1-yl-2-pyridyl]methyl]propanedioic acid CAS Name: 2-[[6-(2-carboxy-3-hydroxy-3-oxopropyl)-5-(1-piperazinyl)-2-pyridinyl]methyl]propanedioic acid IUPAC Name: 2-[[6-(2-carboxy-3-hydroxy-3-oxopropyl)-5-piperazin-1-ylpyridin-2-yl]methyl]propanedioic acid Traditional Name: 2-[[6-(2-carboxy-3-hydroxy-3-keto-propyl)-5-piperazino-2-pyridyl]methyl]malonic acid Formula: C17H21N3O8 MolecularWeight: 395.36394

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(N=C(C=C2)CC(C(=O)O)C(=O)O)CC(C(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCN1)C2=C(N=C(C=C2)CC(C(=O)O)C(=O)O)CC(C(=O)O)C(=O)O

InChI

InChI=1S/C17H21N3O8/c21-14(22)10(15(23)24)7-9-1-2-13(20-5-3-18-4-6-20)12(19-9)8-11(16(25)26)17(27)28/h1-2,10-11,18H,3-8H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28)