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CHEBI:42949 - 4-{4-[2-(1A,7A-DIMETHYL-4-OXY-OCTAHYDRO-1-OXA-4-AZA-CYCLOPROPA[A]NAPHTHALEN-4-YL) -ACETYLAMINO]-PHENYLCARBAMOYL}-BUTYRIC ACID

Default Structure
ChEBI IDCHEBI:42949
ChEBI Name4-{4-[2-(1A,7A-DIMETHYL-4-OXY-OCTAHYDRO-1-OXA-4-AZA-CYCLOPROPA[A]NAPHTHALEN-4-YL) -ACETYLAMINO]-PHENYLCARBAMOYL}-BUTYRIC ACID
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC24H33N3O6
Net Charge0
Average Mass459.543
Monoisotopic Mass459.23694
SMILES[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C(=O)N([H])c1c([H])c([H])c(N([H])C(=O)C([H])([H])[N@@+]2([O-])C([H])([H])C([H])([H])C([H])([H])[C@]3(C([H])([H])[H])[C@]4([H])O[C@]4(C([H])([H])[H])C([H])([H])C([H])([H])[C@]32[H])c([H])c1[H]
InChIInChI=1S/C24H33N3O6/c1-23-12-4-14-27(32,18(23)11-13-24(2)22(23)33-24)15-20(29)26-17-9-7-16(8-10-17)25-19(28)5-3-6-21(30)31/h7-10,18,22H,3-6,11-15H2,1-2H3,(H,25,28)(H,26,29)(H,30,31)/t18-,22+,23+,24-,27+/m1/s1
InChIKeyVFIZFTGABDUGCF-UPVHCHBVSA-N
ChEBI Ontology
Outgoing Relation(s)
4-{4-[2-(1A,7A-DIMETHYL-4-OXY-OCTAHYDRO-1-OXA-4-AZA-CYCLOPROPA[A]NAPHTHALEN-4-YL) -ACETYLAMINO]-PHENYLCARBAMOYL}-BUTYRIC ACID (CHEBI:42949) is a unclassifieds (CHEBI:27189)
Synonyms  Source
4-{4-[2-(1A,7A-DIMETHYL-4-OXY-OCTAHYDRO-1-OXA-4-AZA-CYCLOPROPA[A]NAPHTHALEN-4-YL) -ACETYLAMINO]-PHENYLCARBAMOYL}-BUTYRIC ACIDPDBeChem
5-{[4-({[(1aR,3aR,4S,7aS,7bS)-1a,7a-dimethyl-4-oxidodecahydrooxireno[f]quinolin-4-yl]acetyl}amino)phenyl]amino}-5-oxopentanoic acidPDBeChem
Manual XrefsDatabases
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