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CHEBI:40993 - N,N-[2,5-O-[DI-4-PYRIDIN-3-YL-BENZYL]-GLUCARYL]-DI-[VALYL-AMIDO-METHANE]

Default Structure
ChEBI IDCHEBI:40993
ChEBI NameN,N-[2,5-O-[DI-4-PYRIDIN-3-YL-BENZYL]-GLUCARYL]-DI-[VALYL-AMIDO-METHANE]
Stars
Last Modified17 October 2009
DownloadsMolfile
FormulaC42H52N6O8
Net Charge0
Average Mass768.912
Monoisotopic Mass768.38466
SMILES[H]O[C@]([H])([C@@]([H])(O[H])[C@@]([H])(OC([H])([H])c1c([H])c([H])c(-c2c([H])nc([H])c([H])c2[H])c([H])c1[H])C(=O)N([H])[C@]([H])(C(=O)N([H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@@]([H])(OC([H])([H])c1c([H])c([H])c(-c2c([H])nc([H])c([H])c2[H])c([H])c1[H])C(=O)N([H])[C@]([H])(C(=O)N([H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H]
InChIInChI=1S/C42H52N6O8/c1-25(2)33(39(51)43-5)47-41(53)37(55-23-27-11-15-29(16-12-27)31-9-7-19-45-21-31)35(49)36(50)38(42(54)48-34(26(3)4)40(52)44-6)56-24-28-13-17-30(18-14-28)32-10-8-20-46-22-32/h7-22,25-26,33-38,49-50H,23-24H2,1-6H3,(H,43,51)(H,44,52)(H,47,53)(H,48,54)/t33-,34-,35+,36+,37+,38+/m0/s1
InChIKeyFOBRXMROTNVGST-CXPJILFNSA-N
ChEBI Ontology
Outgoing Relation(s)
N,N-[2,5-O-[DI-4-PYRIDIN-3-YL-BENZYL]-GLUCARYL]-DI-[VALYL-AMIDO-METHANE] (CHEBI:40993) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(2R,3R,4R,5R)-3,4-dihydroxy-N,N'-bis[(1S)-2-methyl-1-(methylcarbamoyl)propyl]-2,5-bis[(4-pyridin-3-ylbenzyl)oxy]hexanediamide (non-preferred name)PDBeChem
N,N-[2,5-O-[DI-4-PYRIDIN-3-YL-BENZYL]-GLUCARYL]-DI-[VALYL-AMIDO-METHANE]PDBeChem
Manual XrefsDatabases
BEJPDBeChem