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CHEBI:41994 - (4R,5S,6S,7R)-1,3-bis(3-aminobenzyl)-4,7-dibenzyl-5,6-dihydroxy-1,3-diazepan-2-one

ChEBI IDCHEBI:41994
ChEBI Name(4R,5S,6S,7R)-1,3-bis(3-aminobenzyl)-4,7-dibenzyl-5,6-dihydroxy-1,3-diazepan-2-one
Stars
ASCII Name(4R,5S,6S,7R)-1,3-bis(3-aminobenzyl)-4,7-dibenzyl-5,6-dihydroxy-1,3-diazepan-2-one
Last Modified17 October 2009
DownloadsMolfile
FormulaC33H36N4O3
Net Charge0
Average Mass536.676
Monoisotopic Mass536.27874
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])c2c([H])c([H])c([H])c(N([H])[H])c2[H])C(=O)N(C([H])([H])c2c([H])c([H])c([H])c(N([H])[H])c2[H])[C@]1([H])C([H])([H])c1c([H])c([H])c([H])c([H])c1[H]
InChIInChI=1S/C33H36N4O3/c34-27-15-7-13-25(17-27)21-36-29(19-23-9-3-1-4-10-23)31(38)32(39)30(20-24-11-5-2-6-12-24)37(33(36)40)22-26-14-8-16-28(35)18-26/h1-18,29-32,38-39H,19-22,34-35H2/t29-,30-,31+,32+/m1/s1
InChIKeyKYRSNWPSSXSNEP-ZRTHHSRSSA-N
ChEBI Ontology
Outgoing Relation(s)
(4R,5S,6S,7R)-1,3-bis(3-aminobenzyl)-4,7-dibenzyl-5,6-dihydroxy-1,3-diazepan-2-one (CHEBI:41994) is a diazepanone (CHEBI:46948)
(4R,5S,6S,7R)-1,3-bis(3-aminobenzyl)-4,7-dibenzyl-5,6-dihydroxy-1,3-diazepan-2-one (CHEBI:41994) is a ureas (CHEBI:47857)
Synonyms  Source
[4-R-(-4-ALPHA,5-ALPHA,6-BETA,7-BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-1,3-BIS([(3-AMINO)PHENYL]METHYL)-4,7-BIS(PHENYLMETHYL)-2H-1,3-DIAZEPINONEPDBeChem
(4R,5S,6S,7R)-1,3-bis(3-aminobenzyl)-4,7-dibenzyl-5,6-dihydroxy-1,3-diazepan-2-onePDBeChem
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