![(3R,4R,5S)-2-[(E)-1-Benzoylamino-1-[N-(1-methylethyl)carbamoyl]methylidene]-3,4-dibenzyloxy-5-hydroxymethylpyrrolidine](/api/spectrum/HMgRusLyj4T/structure.png?h=300&w=458 "(3R,4R,5S)-2-[(E)-1-Benzoylamino-1-[N-(1-methylethyl)carbamoyl]methylidene]-3,4-dibenzyloxy-5-hydroxymethylpyrrolidine")
| SpectraBase Compound ID | 627KMy5uZlm |
|---|---|
| InChI | InChI=1S/C31H35N3O5/c1-21(2)32-31(37)27(34-30(36)24-16-10-5-11-17-24)26-29(39-20-23-14-8-4-9-15-23)28(25(18-35)33-26)38-19-22-12-6-3-7-13-22/h3-17,21,25,28-29,33,35H,18-20H2,1-2H3,(H,32,37)(H,34,36)/b27-26+/t25-,28+,29+/m0/s1 |
| InChIKey | GRLOFLDCZWBIRU-BHWMUDCDSA-N |
| Mol Weight | 529.6 g/mol |
| Molecular Formula | C31H35N3O5 |
| Exact Mass | 529.257671 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HMgRusLyj4T |
|---|---|
| Name | (3R,4R,5S)-2-[(E)-1-Benzoylamino-1-[N-(1-methylethyl)carbamoyl]methylidene]-3,4-dibenzyloxy-5-hydroxymethylpyrrolidine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H35N3O5 |
| InChI | InChI=1S/C31H35N3O5/c1-21(2)32-31(37)27(34-30(36)24-16-10-5-11-17-24)26-29(39-20-23-14-8-4-9-15-23)28(25(18-35)33-26)38-19-22-12-6-3-7-13-22/h3-17,21,25,28-29,33,35H,18-20H2,1-2H3,(H,32,37)(H,34,36)/b27-26+/t25-,28+,29+/m0/s1 |
| InChIKey | GRLOFLDCZWBIRU-BHWMUDCDSA-N |
| Molecular Weight | 529.637 g/mol |
| SMILES | N(C(\C(=C/1[C@]([C@@]([C@](CO)(N1)[H])(OCc1ccccc1)[H])(OCc1ccccc1)[H])NC(=O)c1ccccc1)=O)C(C)C |
| SPLASH | splash10-052f-9700100000-9cc3d775f939cbea6b3f |
| Source of Spectrum | F-59-3055-31 |
| Wiley ID | 1677799 |