2-[3-(2-carboxyethyl)-2-oxidanylidene-piperazin-1-yl]pentanedioic acid

Systemtic Name: 2-[3-(2-carboxyethyl)-2-oxidanylidene-piperazin-1-yl]pentanedioic acid Openeye Name: 2-[3-(2-carboxyethyl)-2-oxo-piperazin-1-yl]pentanedioic acid CAS Name: 2-[3-(2-carboxyethyl)-2-oxo-1-piperazinyl]pentanedioic acid IUPAC Name: 2-[3-(2-carboxyethyl)-2-oxopiperazin-1-yl]pentanedioic acid Traditional Name: 2-[3-(2-carboxyethyl)-2-keto-piperazino]glutaric acid Formula: C12H18N2O7 MolecularWeight: 302.28052

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C(N1)CCC(=O)O)C(CCC(=O)O)C(=O)O

Isomeric SMILES

C1CN(C(=O)C(N1)CCC(=O)O)C(CCC(=O)O)C(=O)O

InChI

InChI=1S/C12H18N2O7/c15-9(16)3-1-7-11(19)14(6-5-13-7)8(12(20)21)2-4-10(17)18/h7-8,13H,1-6H2,(H,15,16)(H,17,18)(H,20,21)