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CHEBI:41698 - 4-(3-ACETOXYMETHYL-2-CARBOXY-8-OXO-5-THIA-1-AZA-BICYCLO[4.2.0]OCT-2-EN-7-YLCARBAMOYL)-1-CARBOXY-BUTYL-AMMONIUM

Default Structure
ChEBI IDCHEBI:41698
ChEBI Name4-(3-ACETOXYMETHYL-2-CARBOXY-8-OXO-5-THIA-1-AZA-BICYCLO[4.2.0]OCT-2-EN-7-YLCARBAMOYL)-1-CARBOXY-BUTYL-AMMONIUM
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC16H22N3O8S
Net Charge+1
Average Mass416.432
Monoisotopic Mass416.11221
SMILES[H]OC(=O)C1=C(C([H])([H])OC(=O)C([H])([H])[H])C([H])([H])S[C@@]2([H])N1C(=O)[C@@]2([H])N([H])C(=O)C([H])([H])C([H])([H])C([H])([H])[C@]([H])(C(=O)O[H])[N+]([H])([H])[H]
InChIInChI=1S/C16H21N3O8S/c1-7(20)27-5-8-6-28-14-11(13(22)19(14)12(8)16(25)26)18-10(21)4-2-3-9(17)15(23)24/h9,11,14H,2-6,17H2,1H3,(H,18,21)(H,23,24)(H,25,26)/p+1/t9-,11-,14-/m1/s1
InChIKeyHOKIDJSKDBPKTQ-GLXFQSAKSA-O
ChEBI Ontology
Outgoing Relation(s)
4-(3-ACETOXYMETHYL-2-CARBOXY-8-OXO-5-THIA-1-AZA-BICYCLO[4.2.0]OCT-2-EN-7-YLCARBAMOYL)-1-CARBOXY-BUTYL-AMMONIUM (CHEBI:41698) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(1R)-5-({(6R,7R)-3-[(acetyloxy)methyl]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl}amino)-1-carboxy-5-oxopentan-1-aminiumPDBeChem
4-(3-ACETOXYMETHYL-2-CARBOXY-8-OXO-5-THIA-1-AZA-BICYCLO[4.2.0]OCT-2-EN-7-YLCARBAMOYL)-1-CARBOXY-BUTYL-AMMONIUMPDBeChem
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