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CHEBI:43927 - 5-O-[8-(cis-2,6-dimethylmorpholino)octylcarbamoyl]eseroline

Default Structure
ChEBI IDCHEBI:43927
ChEBI Name5-O-[8-(cis-2,6-dimethylmorpholino)octylcarbamoyl]eseroline
Stars
ASCII Name5-O-[8-(cis-2,6-dimethylmorpholino)octylcarbamoyl]eseroline
Last Modified12 March 2008
DownloadsMolfile
FormulaC28H46N4O3
Net Charge0
Average Mass486.701
Monoisotopic Mass486.35699
SMILES[H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)NCCCCCCCCN3C[C@@H](C)O[C@@H](C)C3)ccc1N2C
InChIInChI=1S/C28H46N4O3/c1-21-19-32(20-22(2)34-21)16-11-9-7-6-8-10-15-29-27(33)35-23-12-13-25-24(18-23)28(3)14-17-30(4)26(28)31(25)5/h12-13,18,21-22,26H,6-11,14-17,19-20H2,1-5H3,(H,29,33)/t21-,22+,26-,28+/m1/s1
InChIKeyCJMJXTWMGXRFOM-FKTURHEWSA-N
ChEBI Ontology
Outgoing Relation(s)
5-O-[8-(cis-2,6-dimethylmorpholino)octylcarbamoyl]eseroline (CHEBI:43927) has functional parent eseroline (CHEBI:48845)
5-O-[8-(cis-2,6-dimethylmorpholino)octylcarbamoyl]eseroline (CHEBI:43927) is a carbamate ester (CHEBI:23003)
5-O-[8-(cis-2,6-dimethylmorpholino)octylcarbamoyl]eseroline (CHEBI:43927) is a morpholines (CHEBI:38785)
IUPAC Name 
(3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl {8-[(2R,6S)-2,6-dimethylmorpholin-4-yl]octyl}carbamate
Synonyms  Source
CIS-2,6-DIMETHYLMORPHOLINOOCTYLCARBAMYLESEROLINEPDBeChem
Mf 268ChemIDplus
Registry NumbersSources
CAS:154619-51-9ChemIDplus