![(3R,4R,5S)-2-[(E)-1-Benzoylamino-1-[N-(1-methylethyl)carbamoyl]methylidene]-3,4-dibenzyloxy-5-methanesulfoxymethylpyrrolidine](/api/spectrum/D33Kp3G426h/structure.png?h=300&w=458 "(3R,4R,5S)-2-[(E)-1-Benzoylamino-1-[N-(1-methylethyl)carbamoyl]methylidene]-3,4-dibenzyloxy-5-methanesulfoxymethylpyrrolidine")
| SpectraBase Compound ID | 5lhpDg6iPVf |
|---|---|
| InChI | InChI=1S/C32H37N3O7S/c1-22(2)33-32(37)28(35-31(36)25-17-11-6-12-18-25)27-30(41-20-24-15-9-5-10-16-24)29(26(34-27)21-42-43(3,38)39)40-19-23-13-7-4-8-14-23/h4-18,22,26,29-30,34H,19-21H2,1-3H3,(H,33,37)(H,35,36)/b28-27-/t26-,29+,30+/m0/s1 |
| InChIKey | CZOOEVCBRQEDCP-JMTBFKLASA-N |
| Mol Weight | 607.7 g/mol |
| Molecular Formula | C32H37N3O7S |
| Exact Mass | 607.235222 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | D33Kp3G426h |
|---|---|
| Name | (3R,4R,5S)-2-[(E)-1-Benzoylamino-1-[N-(1-methylethyl)carbamoyl]methylidene]-3,4-dibenzyloxy-5-methanesulfoxymethylpyrrolidine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C32H37N3O7S |
| InChI | InChI=1S/C32H37N3O7S/c1-22(2)33-32(37)28(35-31(36)25-17-11-6-12-18-25)27-30(41-20-24-15-9-5-10-16-24)29(26(34-27)21-42-43(3,38)39)40-19-23-13-7-4-8-14-23/h4-18,22,26,29-30,34H,19-21H2,1-3H3,(H,33,37)(H,35,36)/b28-27-/t26-,29+,30+/m0/s1 |
| InChIKey | CZOOEVCBRQEDCP-JMTBFKLASA-N |
| Molecular Weight | 607.722 g/mol |
| SMILES | N(C(\C(=C\1N[C@]([C@]([C@@]1(OCc1ccccc1)[H])(OCc1ccccc1)[H])(COS(=O)(=O)C)[H])NC(=O)c1ccccc1)=O)C(C)C |
| SPLASH | splash10-052f-9600000000-607b2f29b6af0f9f1aad |
| Source of Spectrum | F-59-3056-32 |
| Wiley ID | 1677798 |