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CHEBI:42643 - [4-(4-ACETYLAMINO-PHENYL)-3,5-DIOXO-4-AZA-TRICYCLO[5.2.2.0 2,6]UNDEC-1-YLCARBAMOYLOXY]-ACETIC ACID

Default Structure
ChEBI IDCHEBI:42643
ChEBI Name[4-(4-ACETYLAMINO-PHENYL)-3,5-DIOXO-4-AZA-TRICYCLO[5.2.2.0 2,6]UNDEC-1-YLCARBAMOYLOXY]-ACETIC ACID
Stars
DownloadsMolfile
FormulaC21H23N3O7
Net Charge0
Average Mass429.429
Monoisotopic Mass429.15360
SMILES[H]OC(=O)C([H])([H])OC(=O)N([H])[C@]12C([H])([H])C([H])([H])[C@]([H])(C([H])([H])C1([H])[H])[C@@]1([H])C(=O)N(c3c([H])c([H])c(N([H])C(=O)C([H])([H])[H])c([H])c3[H])C(=O)[C@@]21[H]
InChIInChI=1S/C21H23N3O7/c1-11(25)22-13-2-4-14(5-3-13)24-18(28)16-12-6-8-21(9-7-12,17(16)19(24)29)23-20(30)31-10-15(26)27/h2-5,12,16-17H,6-10H2,1H3,(H,22,25)(H,23,30)(H,26,27)/t12-,16-,17+,21-/m1/s1
InChIKeyWBCOLMYVEBTZOA-OKRSVSQCSA-N
ChEBI Ontology
Outgoing Relation(s)
[4-(4-ACETYLAMINO-PHENYL)-3,5-DIOXO-4-AZA-TRICYCLO[5.2.2.0 2,6]UNDEC-1-YLCARBAMOYLOXY]-ACETIC ACID (CHEBI:42643) is a unclassifieds (CHEBI:27189)
Synonyms  Source
[({(3aR,4R,7R,7aR)-2-[4-(acetylamino)phenyl]-1,3-dioxooctahydro-4H-4,7-ethanoisoindol-4-yl}carbamoyl)oxy]acetic acidPDBeChem
[4-(4-ACETYLAMINO-PHENYL)-3,5-DIOXO-4-AZA-TRICYCLO[5.2.2.0 2,6]UNDEC-1-YLCARBAMOYLOXY]-ACETIC ACIDPDBeChem
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