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CHEBI:45154 - (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis[4-(hydroxymethyl)benzyl]-1,3-diazepan-2-ylidenecyanamide

ChEBI IDCHEBI:45154
ChEBI Name(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis[4-(hydroxymethyl)benzyl]-1,3-diazepan-2-ylidenecyanamide
Stars
Last Modified17 October 2009
DownloadsMolfile
FormulaC36H38N4O4
Net Charge0
Average Mass590.724
Monoisotopic Mass590.28931
SMILES[H]OC([H])([H])c1c([H])c([H])c(C([H])([H])N2C(=NC#N)N(C([H])([H])c3c([H])c([H])c(C([H])([H])O[H])c([H])c3[H])[C@]([H])(C([H])([H])c3c([H])c([H])c([H])c([H])c3[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]2([H])C([H])([H])c2c([H])c([H])c([H])c([H])c2[H])c([H])c1[H]
InChIInChI=1S/C36H38N4O4/c37-25-38-36-39(21-28-11-15-30(23-41)16-12-28)32(19-26-7-3-1-4-8-26)34(43)35(44)33(20-27-9-5-2-6-10-27)40(36)22-29-13-17-31(24-42)18-14-29/h1-18,32-35,41-44H,19-24H2/t32-,33-,34+,35+/m1/s1
InChIKeyVLCZFBGXHAKRLP-WDKGQIBQSA-N
ChEBI Ontology
Outgoing Relation(s)
(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis[4-(hydroxymethyl)benzyl]-1,3-diazepan-2-ylidenecyanamide (CHEBI:45154) has functional parent cyanamide (CHEBI:16698)
(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis[4-(hydroxymethyl)benzyl]-1,3-diazepan-2-ylidenecyanamide (CHEBI:45154) is a diazepane (CHEBI:38823)
(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis[4-(hydroxymethyl)benzyl]-1,3-diazepan-2-ylidenecyanamide (CHEBI:45154) is a guanidines (CHEBI:24436)
Synonyms  Source
{[4-R(-4-ALPHA,5-ALPHA,6-BETA,7-BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-1,3-BIS(4-HYDROXYMETHYL)METHYL]-4,7-BIS(PHENYLMETHYL)-2H-1,3-DIAZEPIN-2-YLIDENE]CYANAMIDE}PDBeChem
{(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis[4-(hydroxymethyl)benzyl]-1,3-diazepan-2-ylidene}cyanamidePDBeChem
Manual XrefsDatabases
Q82PDBeChem