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CHEBI:40983 - N,N-[2,5-O-[DI-4-THIOPHEN-3-YL-BENZYL]-GLUCARYL]-DI-[VALYL-AMIDO-METHANE]

Default Structure
ChEBI IDCHEBI:40983
ChEBI NameN,N-[2,5-O-[DI-4-THIOPHEN-3-YL-BENZYL]-GLUCARYL]-DI-[VALYL-AMIDO-METHANE]
Stars
Last Modified17 October 2009
DownloadsMolfile
FormulaC40H50N4O8S2
Net Charge0
Average Mass778.994
Monoisotopic Mass778.30701
SMILES[H]O[C@]([H])([C@@]([H])(O[H])[C@@]([H])(OC([H])([H])c1c([H])c([H])c(-c2c([H])sc([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])sc([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/C40H50N4O8S2/c1-23(2)31(37(47)41-5)43-39(49)35(51-19-25-7-11-27(12-8-25)29-15-17-53-21-29)33(45)34(46)36(40(50)44-32(24(3)4)38(48)42-6)52-20-26-9-13-28(14-10-26)30-16-18-54-22-30/h7-18,21-24,31-36,45-46H,19-20H2,1-6H3,(H,41,47)(H,42,48)(H,43,49)(H,44,50)/t31-,32-,33+,34+,35+,36+/m0/s1
InChIKeyAJZAPEZJWWQJHC-UWNKZCSISA-N
ChEBI Ontology
Outgoing Relation(s)
N,N-[2,5-O-[DI-4-THIOPHEN-3-YL-BENZYL]-GLUCARYL]-DI-[VALYL-AMIDO-METHANE] (CHEBI:40983) 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-thiophen-3-ylbenzyl)oxy]hexanediamide (non-preferred name)PDBeChem
N,N-[2,5-O-[DI-4-THIOPHEN-3-YL-BENZYL]-GLUCARYL]-DI-[VALYL-AMIDO-METHANE]PDBeChem
Manual XrefsDatabases
BEEPDBeChem