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CHEBI:39716 - (4R,5S,6S,7R)-1,3-diallyl-4,7-dibenzyl-5,6-dihydroxy-1,3-diazepan-2-one

ChEBI IDCHEBI:39716
ChEBI Name(4R,5S,6S,7R)-1,3-diallyl-4,7-dibenzyl-5,6-dihydroxy-1,3-diazepan-2-one
Stars
ASCII Name(4R,5S,6S,7R)-1,3-diallyl-4,7-dibenzyl-5,6-dihydroxy-1,3-diazepan-2-one
Last Modified17 October 2009
DownloadsMolfile
FormulaC25H30N2O3
Net Charge0
Average Mass406.526
Monoisotopic Mass406.22564
SMILES[H]O[C@]1([H])[C@@]([H])(O[H])[C@@]([H])(C([H])([H])c2c([H])c([H])c([H])c([H])c2[H])N(C([H])([H])C([H])=C([H])[H])C(=O)N(C([H])([H])C([H])=C([H])[H])[C@]1([H])C([H])([H])c1c([H])c([H])c([H])c([H])c1[H]
InChIInChI=1S/C25H30N2O3/c1-3-15-26-21(17-19-11-7-5-8-12-19)23(28)24(29)22(27(16-4-2)25(26)30)18-20-13-9-6-10-14-20/h3-14,21-24,28-29H,1-2,15-18H2/t21-,22-,23+,24+/m1/s1
InChIKeyIWJSQELMWLOYSO-LWSSLDFYSA-N
ChEBI Ontology
Outgoing Relation(s)
(4R,5S,6S,7R)-1,3-diallyl-4,7-dibenzyl-5,6-dihydroxy-1,3-diazepan-2-one (CHEBI:39716) is a diazepanone (CHEBI:46948)
(4R,5S,6S,7R)-1,3-diallyl-4,7-dibenzyl-5,6-dihydroxy-1,3-diazepan-2-one (CHEBI:39716) is a ureas (CHEBI:47857)
Synonyms  Source
[4-R-(4-ALPHA,6-BETA,7-BETA]-HEXAHYDRO-5,6-DI(HYDROXY)-1,3-DI(ALLYL)-4,7-BISPHENYLMETHYL)-2H-1,3-DIAZEPINONEPDBeChem
(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-diprop-2-en-1-yl-1,3-diazepan-2-onePDBeChem
Manual XrefsDatabases
216PDBeChem