| SpectraBase Compound ID | D2xtVFd7hny |
|---|---|
| InChI | InChI=1S/C23H32F6N4O6/c1-2-3-13-39-19(36)14(31-18(35)16-9-6-12-33(16)21(38)23(27,28)29)7-4-10-30-17(34)15-8-5-11-32(15)20(37)22(24,25)26/h14-16H,2-13H2,1H3,(H,30,34)(H,31,35)/t14-,15-,16-/m0/s1 |
| InChIKey | LLCWXAWXCBYJNC-JYJNAYRXSA-N |
| Mol Weight | 574.5 g/mol |
| Molecular Formula | C23H32F6N4O6 |
| Exact Mass | 574.222604 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C4P9DEpZkzn |
|---|---|
| Name | N,N'-bis(tfa-L-Prolyl)ornithine butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 574.222603738 u |
| Formula | C23H32F6N4O6 |
| InChI | InChI=1S/C23H32F6N4O6/c1-2-3-13-39-19(36)14(31-18(35)16-9-6-12-33(16)21(38)23(27,28)29)7-4-10-30-17(34)15-8-5-11-32(15)20(37)22(24,25)26/h14-16H,2-13H2,1H3,(H,30,34)(H,31,35)/t14-,15-,16-/m0/s1 |
| InChIKey | LLCWXAWXCBYJNC-JYJNAYRXSA-N |
| Molecular Weight | 574.521 g/mol |
| SMILES | C(N1[C@](C(N[C@](C(=O)OCCCC)(CCCNC([C@]2(N(C(C(F)(F)F)=O)CCC2)[H])=O)[H])=O)(CCC1)[H])(C(F)(F)F)=O |