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(2R)-N4-Benzyloxy-2-[3-(benzyloxy)benzyl]-N1-[(1S,2R,3R,3aS,7aR)-2-hydroxy-3-{(S)-N-methylphenylsulfonimidoyl}octahydro-1Hinden-1-yl]succinamide
SpectraBase Compound ID H7bt60RYWIg
InChI InChI=1S/C41H47N3O6S/c1-42-51(48,34-20-9-4-10-21-34)40-36-23-12-11-22-35(36)38(39(40)46)43-41(47)32(26-37(45)44-50-28-30-16-7-3-8-17-30)24-31-18-13-19-33(25-31)49-27-29-14-5-2-6-15-29/h2-10,13-21,25,32,35-36,38-40,46H,11-12,22-24,26-28H2,1H3,(H,43,47)(H,44,45)/t32-,35-,36+,38+,39-,40-,51-/m1/s1
InChIKey PQBVOSQJFDHUGN-NJJTYNCWSA-N
Mol Weight 709.9 g/mol
Molecular Formula C41H47N3O6S
Exact Mass 709.318557 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IqrWmFhLqsv
Name (2R)-N4-Benzyloxy-2-[3-(benzyloxy)benzyl]-N1-[(1S,2R,3R,3aS,7aR)-2-hydroxy-3-{(S)-N-methylphenylsulfonimidoyl}octahydro-1Hinden-1-yl]succinamide
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Formula C41H47N3O6S
InChI InChI=1S/C41H47N3O6S/c1-42-51(48,34-20-9-4-10-21-34)40-36-23-12-11-22-35(36)38(39(40)46)43-41(47)32(26-37(45)44-50-28-30-16-7-3-8-17-30)24-31-18-13-19-33(25-31)49-27-29-14-5-2-6-15-29/h2-10,13-21,25,32,35-36,38-40,46H,11-12,22-24,26-28H2,1H3,(H,43,47)(H,44,45)/t32-,35-,36+,38+,39-,40-,51-/m1/s1
InChIKey PQBVOSQJFDHUGN-NJJTYNCWSA-N
Molecular Weight 709.902 g/mol
SMILES N([C@]1([C@]2([C@@]([C@]([C@@]1(O)[H])([S@](=NC)(=O)c1ccccc1)[H])(CCCC2)[H])[H])[H])C([C@@](CC(=O)NOCc1ccccc1)(Cc1cc(OCc2ccccc2)ccc1)[H])=O
SPLASH splash10-0006-9400000000-a5a1ea48926319314bdb
Source of Spectrum U1-2011-6006-46
Synonyms (2R)-N-[(1S,2R,3R,3aS,7aR)-2-hydroxy-3-(N-methyl-S-phenylsulfonimidoyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-N'-phenylmethoxy-2-[(3-phenylmethoxyphenyl)methyl]butanediamide (2R)-N-[(1S,2R,3R,3aS,7aR)-2-hydroxy-3-(N-methyl-S-phenyl-sulfonimidoyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-N'-benzyloxy-2-[(3-benzyloxyphenyl)methyl]butanediamide (2R)-N-[(1S,2R,3R,3aS,7aR)-3-(N-methyl-S-phenyl-sulfonimidoyl)-2-oxidanyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-N'-phenylmethoxy-2-[(3-phenylmethoxyphenyl)methyl]butanediamide
Wiley ID 1688765