![N,N-Bis[(S)-1-(ethoxycarbonyl)-2-phenylethyl]-(2S/R,3S/R)-3-hydroxy-2-(tosylamino)succinic diamide isomer](/api/spectrum/8lIyli3j3gj/structure.png?h=300&w=458 "N,N-Bis[(S)-1-(ethoxycarbonyl)-2-phenylethyl]-(2S/R,3S/R)-3-hydroxy-2-(tosylamino)succinic diamide isomer")
| SpectraBase Compound ID | 6RL0PaOrmyM |
|---|---|
| InChI | InChI=1S/C33H39N3O9S/c1-4-44-32(40)26(20-23-12-8-6-9-13-23)34-30(38)28(36-46(42,43)25-18-16-22(3)17-19-25)29(37)31(39)35-27(33(41)45-5-2)21-24-14-10-7-11-15-24/h6-19,26-29,36-37H,4-5,20-21H2,1-3H3,(H,34,38)(H,35,39)/t26-,27-,28-,29-/m0/s1 |
| InChIKey | NYMISELZIDXLSH-DZUOILHNSA-N |
| Mol Weight | 653.7 g/mol |
| Molecular Formula | C33H39N3O9S |
| Exact Mass | 653.240701 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 8lIyli3j3gj |
|---|---|
| Name | N,N-Bis[(S)-1-(ethoxycarbonyl)-2-phenylethyl]-(2S/R,3S/R)-3-hydroxy-2-(tosylamino)succinic diamide isomer |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C33H39N3O9S |
| InChI | InChI=1S/C33H39N3O9S/c1-4-44-32(40)26(20-23-12-8-6-9-13-23)34-30(38)28(36-46(42,43)25-18-16-22(3)17-19-25)29(37)31(39)35-27(33(41)45-5-2)21-24-14-10-7-11-15-24/h6-19,26-29,36-37H,4-5,20-21H2,1-3H3,(H,34,38)(H,35,39)/t26-,27-,28-,29-/m0/s1 |
| InChIKey | NYMISELZIDXLSH-DZUOILHNSA-N |
| Molecular Weight | 653.747 g/mol |
| SMILES | N([C@@]([C@@](C(N[C@](C(=O)OCC)(Cc1ccccc1)[H])=O)(O)[H])(C(N[C@](C(=O)OCC)(Cc1ccccc1)[H])=O)[H])S(c1ccc(cc1)C)(=O)=O |
| SPLASH | splash10-0ffx-3940000000-068120acc867652b4ce0 |
| Source of Spectrum | QE-12-4369-5 |
| Wiley ID | 1586994 |