![tert-Butyl (3R)-3-[3-(Benzyloxy)benzyl]-4-[(1S,2R,3R,3aS,7aR)-2-hydroxy-3-{(S)-N-methylphenylsulfonimidoyl}octahydro-1H-inden-1-ylamino]-4-oxobutanoate](/api/spectrum/33Q8eAA3jKE/structure.png?h=300&w=458 "tert-Butyl (3R)-3-[3-(Benzyloxy)benzyl]-4-[(1S,2R,3R,3aS,7aR)-2-hydroxy-3-{(S)-N-methylphenylsulfonimidoyl}octahydro-1H-inden-1-ylamino]-4-oxobutanoate")
| SpectraBase Compound ID | 1jhoPbpHsuf |
|---|---|
| InChI | InChI=1S/C38H48N2O6S/c1-38(2,3)46-33(41)24-28(22-27-16-13-17-29(23-27)45-25-26-14-7-5-8-15-26)37(43)40-34-31-20-11-12-21-32(31)36(35(34)42)47(44,39-4)30-18-9-6-10-19-30/h5-10,13-19,23,28,31-32,34-36,42H,11-12,20-22,24-25H2,1-4H3,(H,40,43)/t28-,31-,32+,34+,35-,36-,47?/m1/s1 |
| InChIKey | IJJXKRZPLUMEKK-SNLAICAMSA-N |
| Mol Weight | 660.9 g/mol |
| Molecular Formula | C38H48N2O6S |
| Exact Mass | 660.323308 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 33Q8eAA3jKE |
|---|---|
| Name | tert-Butyl (3R)-3-[3-(Benzyloxy)benzyl]-4-[(1S,2R,3R,3aS,7aR)-2-hydroxy-3-{(S)-N-methylphenylsulfonimidoyl}octahydro-1H-inden-1-ylamino]-4-oxobutanoate |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C38H48N2O6S |
| InChI | InChI=1S/C38H48N2O6S/c1-38(2,3)46-33(41)24-28(22-27-16-13-17-29(23-27)45-25-26-14-7-5-8-15-26)37(43)40-34-31-20-11-12-21-32(31)36(35(34)42)47(44,39-4)30-18-9-6-10-19-30/h5-10,13-19,23,28,31-32,34-36,42H,11-12,20-22,24-25H2,1-4H3,(H,40,43)/t28-,31-,32+,34+,35-,36-,47?/m1/s1 |
| InChIKey | IJJXKRZPLUMEKK-SNLAICAMSA-N |
| Molecular Weight | 660.870 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(OC(C)(C)C)=O)(Cc1cc(OCc2ccccc2)ccc1)[H])=O |
| SPLASH | splash10-06rl-8903000000-2a8809926c60b5d10bde |
| Source of Spectrum | U1-2011-6006-56 |
| Wiley ID | 1688766 |