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CHEBI:41643 - 1,4-bis-[(Z)-2-carboxy-2-methyl-1,3-dioxan-5-yloxycarbonyl]piperazine

Default Structure
ChEBI IDCHEBI:41643
ChEBI Name1,4-bis-[(Z)-2-carboxy-2-methyl-1,3-dioxan-5-yloxycarbonyl]piperazine
Stars
ASCII Name1,4-bis-[(Z)-2-carboxy-2-methyl-1,3-dioxan-5-yloxycarbonyl]piperazine
Last Modified16 May 2008
DownloadsMolfile
FormulaC18H26N2O12
Net Charge0
Average Mass462.408
Monoisotopic Mass462.14857
SMILES[H]OC(=O)[C@]1(C([H])([H])[H])OC([H])([H])[C@@]([H])(OC(=O)N2C([H])([H])C([H])([H])N(C(=O)O[C@]3([H])C([H])([H])O[C@@](C(=O)O[H])(C([H])([H])[H])OC3([H])[H])C([H])([H])C2([H])[H])C([H])([H])O1
InChIInChI=1S/C18H26N2O12/c1-17(13(21)22)27-7-11(8-28-17)31-15(25)19-3-5-20(6-4-19)16(26)32-12-9-29-18(2,14(23)24)30-10-12/h11-12H,3-10H2,1-2H3,(H,21,22)(H,23,24)/t11-,12-,17-,18+
InChIKeyGNQQJZKGGHOMBD-CCNNFCOFSA-N
ChEBI Ontology
Outgoing Relation(s)
1,4-bis-[(Z)-2-carboxy-2-methyl-1,3-dioxan-5-yloxycarbonyl]piperazine (CHEBI:41643) is a carbamate ester (CHEBI:23003)
1,4-bis-[(Z)-2-carboxy-2-methyl-1,3-dioxan-5-yloxycarbonyl]piperazine (CHEBI:41643) is a dioxanecarboxylic acid (CHEBI:46927)
1,4-bis-[(Z)-2-carboxy-2-methyl-1,3-dioxan-5-yloxycarbonyl]piperazine (CHEBI:41643) is a piperazinecarboxylate ester (CHEBI:46922)
Synonyms  Source
BIS-1,2-{[(Z)-2CARBOXY-2-METHYL-1,3-DIOXANE]-5-YLOXYCARBONYL}-PIPERAZINEPDBeChem
({cis)-5,5'-[piperazine-1,4-diylbis(carbonyloxy)]bis(2-methyl-1,3-dioxane-2-carboxylic acid)PDBeChem
Manual XrefsDatabases
CPKPDBeChem