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CHEBI:41036 - 3-({5-BENZYL-6-HYDROXY-2,4-BIS-(4-HYDROXY-BENZYL)-3-OXO-[1,2,4]-TRIAZEPANE-1-SULFONYL)-BENZONITRILE

Default Structure
ChEBI IDCHEBI:41036
ChEBI Name3-({5-BENZYL-6-HYDROXY-2,4-BIS-(4-HYDROXY-BENZYL)-3-OXO-[1,2,4]-TRIAZEPANE-1-SULFONYL)-BENZONITRILE
Stars
Last Modified17 October 2009
DownloadsMolfile
FormulaC32H30N4O6S
Net Charge0
Average Mass598.681
Monoisotopic Mass598.18861
SMILES[H]Oc1c([H])c([H])c(C([H])([H])N2C(=O)N(C([H])([H])c3c([H])c([H])c(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])([H])N2S(=O)(=O)c2c([H])c([H])c([H])c(C#N)c2[H])c([H])c1[H]
InChIInChI=1S/C32H30N4O6S/c33-19-26-7-4-8-29(17-26)43(41,42)36-22-31(39)30(18-23-5-2-1-3-6-23)34(20-24-9-13-27(37)14-10-24)32(40)35(36)21-25-11-15-28(38)16-12-25/h1-17,30-31,37-39H,18,20-22H2/t30-,31-/m1/s1
InChIKeyUYUWNNRWESUYOB-FIRIVFDPSA-N
ChEBI Ontology
Outgoing Relation(s)
3-({5-BENZYL-6-HYDROXY-2,4-BIS-(4-HYDROXY-BENZYL)-3-OXO-[1,2,4]-TRIAZEPANE-1-SULFONYL)-BENZONITRILE (CHEBI:41036) is a unclassifieds (CHEBI:27189)
Synonyms  Source
3-({5-BENZYL-6-HYDROXY-2,4-BIS-(4-HYDROXY-BENZYL)-3-OXO-[1,2,4]-TRIAZEPANE-1-SULFONYL)-BENZONITRILEPDBeChem
3-{[(5R,6R)-5-benzyl-6-hydroxy-2,4-bis(4-hydroxybenzyl)-3-oxo-1,2,4-triazepan-1-yl]sulfonyl}benzonitrilePDBeChem
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BH0PDBeChem