| SpectraBase Compound ID | IFVoHCLwOLO |
|---|---|
| InChI | InChI=1S/C35H42N5O8P/c1-24(37-25(2)41)32(42)36-23-49(46,48-22-27-13-8-5-9-14-27)40-20-10-15-31(40)34(44)39-30(21-26-11-6-4-7-12-26)33(43)38-29-18-16-28(17-19-29)35(45)47-3/h4-9,11-14,16-19,24,30-31H,10,15,20-23H2,1-3H3,(H,36,42)(H,37,41)(H,38,43)(H,39,44)/t24-,30-,31-,49?/m0/s1 |
| InChIKey | AINQNGANGBOZHG-VRHLZBNSSA-N |
| Mol Weight | 691.7 g/mol |
| Molecular Formula | C35H42N5O8P |
| Exact Mass | 691.2771 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bk20kopnfLK |
|---|---|
| Name | ac-ala-gly-Omega-(PO2BN-N)-pro-phe-pcma |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 691.277100322 u |
| Formula | C35H42N5O8P |
| InChI | InChI=1S/C35H42N5O8P/c1-24(37-25(2)41)32(42)36-23-49(46,48-22-27-13-8-5-9-14-27)40-20-10-15-31(40)34(44)39-30(21-26-11-6-4-7-12-26)33(43)38-29-18-16-28(17-19-29)35(45)47-3/h4-9,11-14,16-19,24,30-31H,10,15,20-23H2,1-3H3,(H,36,42)(H,37,41)(H,38,43)(H,39,44)/t24-,30-,31-,49?/m0/s1 |
| InChIKey | AINQNGANGBOZHG-VRHLZBNSSA-N |
| Molecular Weight | 691.722 g/mol |
| SMILES | C(=O)(C)N[C@@](C)(C(=O)NCP(=O)(OCC1=CC=CC=C1)N1[C@@](CCC1)(C(=O)N[C@@](CC1=CC=CC=C1)(C(=O)NC1=CC=C(C=C1)C(=O)OC)[H])[H])[H] |