![Cyclopropylmethyl (2S)-({N-[(3,5-difluorophenyl)acetyl]-L-alanyl}amino)(phenyl)acetate](/api/spectrum/7sDtmYsOpHT/structure.png?h=300&w=458 "Cyclopropylmethyl (2S)-({N-[(3,5-difluorophenyl)acetyl]-L-alanyl}amino)(phenyl)acetate")
| SpectraBase Compound ID | HgcAtQOJyP7 |
|---|---|
| InChI | InChI=1S/C23H24F2N2O4/c1-14(26-20(28)11-16-9-18(24)12-19(25)10-16)22(29)27-21(17-5-3-2-4-6-17)23(30)31-13-15-7-8-15/h2-6,9-10,12,14-15,21H,7-8,11,13H2,1H3,(H,26,28)(H,27,29)/t14-,21-/m0/s1 |
| InChIKey | CSOCLUJUDSARLZ-QKKBWIMNSA-N |
| Mol Weight | 430.45 g/mol |
| Molecular Formula | C23H24F2N2O4 |
| Exact Mass | 430.170414 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7sDtmYsOpHT |
|---|---|
| Name | Cyclopropylmethyl (2S)-({N-[(3,5-difluorophenyl)acetyl]-L-alanyl}amino)(phenyl)acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 430.170413583 u |
| Formula | C23H24F2N2O4 |
| InChI | InChI=1S/C23H24F2N2O4/c1-14(26-20(28)11-16-9-18(24)12-19(25)10-16)22(29)27-21(17-5-3-2-4-6-17)23(30)31-13-15-7-8-15/h2-6,9-10,12,14-15,21H,7-8,11,13H2,1H3,(H,26,28)(H,27,29)/t14-,21-/m0/s1 |
| InChIKey | CSOCLUJUDSARLZ-QKKBWIMNSA-N |
| Molecular Weight | 430.452 g/mol |
| SMILES | C(=O)([C@@](NC(=O)CC=1C=C(F)C=C(C1)F)(C)[H])N[C@](C(OCC1CC1)=O)(C1=CC=CC=C1)[H] |