| SpectraBase Compound ID | 7Nv96iOLypZ |
|---|---|
| InChI | InChI=1S/C27H26ClN3O7/c1-36-15-38-30-23(10-11-25(30)28)26(32)29-22(12-16-13-24(16)31(34)35)27(33)37-14-21-19-8-4-2-6-17(19)18-7-3-5-9-20(18)21/h2-11,16,21-22,24H,12-15H2,1H3,(H,29,32)/t16-,22+,24?/m1/s1 |
| InChIKey | CUBGZZZUFJMWQE-HNSKBNJZSA-N |
| Mol Weight | 539.97 g/mol |
| Molecular Formula | C27H26ClN3O7 |
| Exact Mass | 539.145928 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | BN4ih8gvHvj |
|---|---|
| Name | Chpca(mom)-(2S)-3-(ncp)ala-ofm |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 539.145927882 u |
| Formula | C27H26ClN3O7 |
| InChI | InChI=1S/C27H26ClN3O7/c1-36-15-38-30-23(10-11-25(30)28)26(32)29-22(12-16-13-24(16)31(34)35)27(33)37-14-21-19-8-4-2-6-17(19)18-7-3-5-9-20(18)21/h2-11,16,21-22,24H,12-15H2,1H3,(H,29,32)/t16-,22+,24?/m1/s1 |
| InChIKey | CUBGZZZUFJMWQE-HNSKBNJZSA-N |
| Molecular Weight | 539.972 g/mol |
| SMILES | C=1(N(C(Cl)=CC1)OCOC)C(N[C@](C(OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)=O)(C[C@]1(C(N(=O)=O)C1)[H])[H])=O |