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CHEBI:44402 - 3-(4-AMINO-2-TERT-BUTYL-5-METHYL-PHENYLSULFANYL)-6-CYCLOPENTYL-4-HYDROXY-6-[2-(4-HYDROXY-PHENYL)-ETHYL]-5,6-DIHYDRO-PYRAN-2-ONE

Default Structure
ChEBI IDCHEBI:44402
ChEBI Name3-(4-AMINO-2-TERT-BUTYL-5-METHYL-PHENYLSULFANYL)-6-CYCLOPENTYL-4-HYDROXY-6-[2-(4-HYDROXY-PHENYL)-ETHYL]-5,6-DIHYDRO-PYRAN-2-ONE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC29H37NO4S
Net Charge0
Average Mass495.685
Monoisotopic Mass495.24433
SMILES[H]OC1=C(Sc2c([H])c(C([H])([H])[H])c(N([H])[H])c([H])c2C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C(=O)O[C@](C([H])([H])C([H])([H])c2c([H])c([H])c(O[H])c([H])c2[H])(C2([H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H])C1([H])[H]
InChIInChI=1S/C29H37NO4S/c1-18-15-25(22(16-23(18)30)28(2,3)4)35-26-24(32)17-29(34-27(26)33,20-7-5-6-8-20)14-13-19-9-11-21(31)12-10-19/h9-12,15-16,20,31-32H,5-8,13-14,17,30H2,1-4H3/t29-/m0/s1
InChIKeyZEBFKFGJWHOOST-LJAQVGFWSA-N
ChEBI Ontology
Outgoing Relation(s)
3-(4-AMINO-2-TERT-BUTYL-5-METHYL-PHENYLSULFANYL)-6-CYCLOPENTYL-4-HYDROXY-6-[2-(4-HYDROXY-PHENYL)-ETHYL]-5,6-DIHYDRO-PYRAN-2-ONE (CHEBI:44402) is a unclassifieds (CHEBI:27189)
Synonyms  Source
3-(4-AMINO-2-TERT-BUTYL-5-METHYL-PHENYLSULFANYL)-6-CYCLOPENTYL-4-HYDROXY-6-[2-(4-HYDROXY-PHENYL)-ETHYL]-5,6-DIHYDRO-PYRAN-2-ONEPDBeChem
(6S)-3-[(4-amino-2-tert-butyl-5-methylphenyl)sulfanyl]-6-cyclopentyl-4-hydroxy-6-[2-(4-hydroxyphenyl)ethyl]-5,6-dihydro-2H-pyran-2-onePDBeChem
Manual XrefsDatabases
NH1PDBeChem