![(3R,4R,5S)-2-[(Z)-1-Benzoylamino-1-[N-(1-methylethyl)carbamoyl]methylidene]-3,4-dibenzyloxy-1-(2-propenyloxy)carbonyl-5-hydroxymethylpyrrolidine](/api/spectrum/LTOUmYGXHIU/structure.png?h=300&w=458 "(3R,4R,5S)-2-[(Z)-1-Benzoylamino-1-[N-(1-methylethyl)carbamoyl]methylidene]-3,4-dibenzyloxy-1-(2-propenyloxy)carbonyl-5-hydroxymethylpyrrolidine")
| SpectraBase Compound ID | Fh6EIoPqarD |
|---|---|
| InChI | InChI=1S/C35H39N3O7/c1-4-20-43-35(42)38-28(21-39)31(44-22-25-14-8-5-9-15-25)32(45-23-26-16-10-6-11-17-26)30(38)29(34(41)36-24(2)3)37-33(40)27-18-12-7-13-19-27/h4-19,24,28,31-32,39H,1,20-23H2,2-3H3,(H,36,41)(H,37,40)/b30-29-/t28-,31+,32+/m0/s1 |
| InChIKey | MRSGVRQUKGRJCB-DYAAPLFMSA-N |
| Mol Weight | 613.7 g/mol |
| Molecular Formula | C35H39N3O7 |
| Exact Mass | 613.278801 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LTOUmYGXHIU |
|---|---|
| Name | (3R,4R,5S)-2-[(Z)-1-Benzoylamino-1-[N-(1-methylethyl)carbamoyl]methylidene]-3,4-dibenzyloxy-1-(2-propenyloxy)carbonyl-5-hydroxymethylpyrrolidine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C35H39N3O7 |
| InChI | InChI=1S/C35H39N3O7/c1-4-20-43-35(42)38-28(21-39)31(44-22-25-14-8-5-9-15-25)32(45-23-26-16-10-6-11-17-26)30(38)29(34(41)36-24(2)3)37-33(40)27-18-12-7-13-19-27/h4-19,24,28,31-32,39H,1,20-23H2,2-3H3,(H,36,41)(H,37,40)/b30-29-/t28-,31+,32+/m0/s1 |
| InChIKey | MRSGVRQUKGRJCB-DYAAPLFMSA-N |
| Molecular Weight | 613.711 g/mol |
| SMILES | N(C(\C(=C/1N([C@@](CO)([C@]([C@@]1(OCc1ccccc1)[H])(OCc1ccccc1)[H])[H])C(=O)OCC=C)NC(=O)c1ccccc1)=O)C(C)C |
| SPLASH | splash10-052f-9700000000-3289a9f10e087643114a |
| Source of Spectrum | F-59-3055-29z |
| Wiley ID | 1677801 |