EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:47631 - GS-8373

ChEBI IDCHEBI:47631
ChEBI NameGS-8373
Stars
DefinitionA furofuran that consists of hydroxymethylphosphonic acid where the alcoholic OH group is carrying a ({4-[(2S,3R)-2-({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yloxy]carbonyl}amino)-3-hydroxy-4-[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butyl]phenyl group.
Last Modified8 December 2011
DownloadsMolfile
FormulaC29H41N2O12PS
Net Charge0
Average Mass672.690
Monoisotopic Mass672.21178
SMILES[H][C@]12OCC[C@@]1([H])[C@@H](OC(=O)N[C@@H](Cc1ccc(OCP(=O)(O)O)cc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1)CO2
InChIInChI=1S/C29H41N2O12PS/c1-19(2)15-31(45(37,38)23-10-8-21(39-3)9-11-23)16-26(32)25(14-20-4-6-22(7-5-20)42-18-44(34,35)36)30-29(33)43-27-17-41-28-24(27)12-13-40-28/h4-11,19,24-28,32H,12-18H2,1-3H3,(H,30,33)(H2,34,35,36)/t24-,25-,26+,27-,28+/m0/s1
InChIKeyVGMTVMSJTCIQMF-AJIIGFCHSA-N
ChEBI Ontology
Outgoing Relation(s)
GS-8373 (CHEBI:47631) has functional parent phosphonic acid (CHEBI:44976)
GS-8373 (CHEBI:47631) is a carbamate ester (CHEBI:23003)
GS-8373 (CHEBI:47631) is a furofuran (CHEBI:47790)
GS-8373 (CHEBI:47631) is a sulfonamide (CHEBI:35358)
IUPAC Name 
({4-[(2S,3R)-2-({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yloxy]carbonyl}amino)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butyl]phenoxy}methyl)phosphonic acid
Synonyms  Source
({4-[(2S,3R)-2-({[(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YLOXY]CARBONYL}AMINO)-3-HYDROXY-4-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}BUTYL]PHENOXY}METHYL)PHOSPHONIC ACIDPDBeChem
GS-8373PDB
Manual XrefsDatabases
QFIPDBeChem
Citations