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CHEBI:42397 - 3-(2-{2-[(CYCLOHEXYLMETHOXY-HYDRO-METHYL)-AMINO]-1-HYDROXY-3-METHYL-BUTYLAMINO}-1-HYDROXY-PROPYLAMINO)-PENTANE-1,1,4-TRIOL

Default Structure
ChEBI IDCHEBI:42397
ChEBI Name3-(2-{2-[(CYCLOHEXYLMETHOXY-HYDRO-METHYL)-AMINO]-1-HYDROXY-3-METHYL-BUTYLAMINO}-1-HYDROXY-PROPYLAMINO)-PENTANE-1,1,4-TRIOL
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC21H45N3O7
Net Charge0
Average Mass451.605
Monoisotopic Mass451.32575
SMILES[H]OC([H])(O[H])C([H])([H])[C@]([H])(N([H])[C@@]([H])(O[H])[C@@]([H])(N([H])[C@]([H])(O[H])[C@@]([H])(N([H])[C@@]([H])(O[H])OC([H])([H])C1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])[C@@]([H])(O[H])C([H])([H])[H]
InChIInChI=1S/C21H45N3O7/c1-12(2)18(24-21(30)31-11-15-8-6-5-7-9-15)20(29)22-13(3)19(28)23-16(14(4)25)10-17(26)27/h12-30H,5-11H2,1-4H3/t13-,14-,16-,18-,19-,20+,21-/m0/s1
InChIKeyBUMYZNBKAXTDQY-UGMCXUOWSA-N
ChEBI Ontology
Outgoing Relation(s)
3-(2-{2-[(CYCLOHEXYLMETHOXY-HYDRO-METHYL)-AMINO]-1-HYDROXY-3-METHYL-BUTYLAMINO}-1-HYDROXY-PROPYLAMINO)-PENTANE-1,1,4-TRIOL (CHEBI:42397) is a unclassifieds (CHEBI:27189)
Synonyms  Source
3-(2-{2-[(CYCLOHEXYLMETHOXY-HYDRO-METHYL)-AMINO]-1-HYDROXY-3-METHYL-BUTYLAMINO}-1-HYDROXY-PROPYLAMINO)-PENTANE-1,1,4-TRIOLPDBeChem
(3S,5S,6R,8S,9S,11S)-1-cyclohexyl-11-[(1S)-1-hydroxyethyl]-8-methyl-5-(1-methylethyl)-2-oxa-4,7,10-triazatridecane-3,6,9,13,13-pentol (non-preferred name)PDBeChem
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