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CHEBI:41639 - BIS-1,2-{[(Z)-2-CARBOXY-2-METHYL-1,3-DIOXANE]-5-YLOXYCARBAMOYL}-ETHANE

Default Structure
ChEBI IDCHEBI:41639
ChEBI NameBIS-1,2-{[(Z)-2-CARBOXY-2-METHYL-1,3-DIOXANE]-5-YLOXYCARBAMOYL}-ETHANE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC16H24N2O12
Net Charge0
Average Mass436.370
Monoisotopic Mass436.13292
SMILES[H]OC(=O)[C@]1(C([H])([H])[H])OC([H])([H])[C@@]([H])(OC(=O)N([H])C([H])([H])C([H])([H])N([H])C(=O)O[C@]2([H])C([H])([H])O[C@@](C(=O)O[H])(C([H])([H])[H])OC2([H])[H])C([H])([H])O1
InChIInChI=1S/C16H24N2O12/c1-15(11(19)20)25-5-9(6-26-15)29-13(23)17-3-4-18-14(24)30-10-7-27-16(2,12(21)22)28-8-10/h9-10H,3-8H2,1-2H3,(H,17,23)(H,18,24)(H,19,20)(H,21,22)/t9-,10-,15-,16+
InChIKeyHAVIIPIIAVTNFO-YBHVHWSKSA-N
ChEBI Ontology
Outgoing Relation(s)
BIS-1,2-{[(Z)-2-CARBOXY-2-METHYL-1,3-DIOXANE]-5-YLOXYCARBAMOYL}-ETHANE (CHEBI:41639) is a unclassifieds (CHEBI:27189)
Synonyms  Source
BIS-1,2-{[(Z)-2-CARBOXY-2-METHYL-1,3-DIOXANE]-5-YLOXYCARBAMOYL}-ETHANEPDBeChem
({cis)-5,5'-[ethane-1,2-diylbis(carbamoyloxy)]bis(2-methyl-1,3-dioxane-2-carboxylic acid)PDBeChem
Manual XrefsDatabases
CPJPDBeChem