![[2-(<S>-2'-Oxo-4'-phenylazetidin-1'-yl)acetyl]-L-valyl-L-proline - benzyl ester](/api/spectrum/DpVDrR1njlA/structure.png?h=300&w=458 "[2-(<S>-2'-Oxo-4'-phenylazetidin-1'-yl)acetyl]-L-valyl-L-proline - benzyl ester")
| SpectraBase Compound ID | 18vIIKbby9p |
|---|---|
| InChI | InChI=1S/C28H33N3O5/c1-19(2)26(29-24(32)17-31-23(16-25(31)33)21-12-7-4-8-13-21)27(34)30-15-9-14-22(30)28(35)36-18-20-10-5-3-6-11-20/h3-8,10-13,19,22-23,26H,9,14-18H2,1-2H3,(H,29,32)/t22-,23-,26-/m0/s1 |
| InChIKey | LQHSRDIBTVMNTO-FXSPECFOSA-N |
| Mol Weight | 491.6 g/mol |
| Molecular Formula | C28H33N3O5 |
| Exact Mass | 491.242021 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DpVDrR1njlA |
|---|---|
| Name | [2-( |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H33N3O5 |
| InChI | InChI=1S/C28H33N3O5/c1-19(2)26(29-24(32)17-31-23(16-25(31)33)21-12-7-4-8-13-21)27(34)30-15-9-14-22(30)28(35)36-18-20-10-5-3-6-11-20/h3-8,10-13,19,22-23,26H,9,14-18H2,1-2H3,(H,29,32)/t22-,23-,26-/m0/s1 |
| InChIKey | LQHSRDIBTVMNTO-FXSPECFOSA-N |
| Molecular Weight | 491.588 g/mol |
| SMILES | N([C@](C(N1[C@](C(OCc2ccccc2)=O)(CCC1)[H])=O)(C(C)C)[H])C(CN1C(=O)C[C@]1(c1ccccc1)[H])=O |
| SPLASH | splash10-0006-9040000000-72d16ca834427f110928 |
| Source of Spectrum | D8-333-250-27 |
| Wiley ID | 1516856 |