3,6-bis[2,3-bis(oxidanyl)propylamino]pyrazine-2,5-dicarboxylic acid

Systemtic Name: 3,6-bis[2,3-bis(oxidanyl)propylamino]pyrazine-2,5-dicarboxylic acid Openeye Name: 3,6-bis(2,3-dihydroxypropylamino)pyrazine-2,5-dicarboxylic acid CAS Name: 3,6-bis(2,3-dihydroxypropylamino)pyrazine-2,5-dicarboxylic acid IUPAC Name: 3,6-bis(2,3-dihydroxypropylamino)pyrazine-2,5-dicarboxylic acid Traditional Name: 3,6-bis(glycerylamino)pyrazine-2,5-dicarboxylic acid Formula: C12H18N4O8 MolecularWeight: 346.29332

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Descriptors Computed from Structure

Canonical SMILES:

C(C(CO)O)NC1=C(N=C(C(=N1)C(=O)O)NCC(CO)O)C(=O)O

Isomeric SMILES

C(C(CO)O)NC1=C(N=C(C(=N1)C(=O)O)NCC(CO)O)C(=O)O

InChI

InChI=1S/C12H18N4O8/c17-3-5(19)1-13-9-7(11(21)22)16-10(8(15-9)12(23)24)14-2-6(20)4-18/h5-6,17-20H,1-4H2,(H,13,15)(H,14,16)(H,21,22)(H,23,24)