![2-[2-(R)-N-Diphenylphosphinylpyrrolidin-2-yl]-4,5-dihydrooxazole-4-(R)-carbonyl-L-phenylalanine](/api/spectrum/8RqcvsbnNfW/structure.png?h=300&w=458 "2-[2-(R)-N-Diphenylphosphinylpyrrolidin-2-yl]-4,5-dihydrooxazole-4-(R)-carbonyl-L-phenylalanine")
| SpectraBase Compound ID | CTnbQXoZqxB |
|---|---|
| InChI | InChI=1S/C29H30N3O5P/c33-27(30-24(29(34)35)19-21-11-4-1-5-12-21)25-20-37-28(31-25)26-17-10-18-32(26)38(36,22-13-6-2-7-14-22)23-15-8-3-9-16-23/h1-9,11-16,24-26H,10,17-20H2,(H,30,33)(H,34,35)/t24-,25+,26-/m0/s1 |
| InChIKey | ILELYGWRAIHSFW-NXCFDTQHSA-N |
| Mol Weight | 531.55 g/mol |
| Molecular Formula | C29H30N3O5P |
| Exact Mass | 531.192308 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8RqcvsbnNfW |
|---|---|
| Name | 2-[2-(R)-N-Diphenylphosphinylpyrrolidin-2-yl]-4,5-dihydrooxazole-4-(R)-carbonyl-L-phenylalanine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 531.192308071 u |
| Formula | C29H30N3O5P |
| InChI | InChI=1S/C29H30N3O5P/c33-27(30-24(29(34)35)19-21-11-4-1-5-12-21)25-20-37-28(31-25)26-17-10-18-32(26)38(36,22-13-6-2-7-14-22)23-15-8-3-9-16-23/h1-9,11-16,24-26H,10,17-20H2,(H,30,33)(H,34,35)/t24-,25+,26-/m0/s1 |
| InChIKey | ILELYGWRAIHSFW-NXCFDTQHSA-N |
| Molecular Weight | 531.549 g/mol |
| SMILES | C1(P(=O)(C2=CC=CC=C2)N2CCC[C@]2(C2=N[C@](CO2)(C(=O)N[C@@](CC2=CC=CC=C2)(C(=O)O)[H])[H])[H])=CC=CC=C1 |