| SpectraBase Compound ID | BtwQ3jtOLGt |
|---|---|
| InChI | InChI=1S/C38H37N4O8P/c1-49-38(47)28-18-20-29(21-19-28)39-34(43)32(23-26-11-4-2-5-12-26)40-35(44)33-17-10-22-42(33)51(48,50-24-27-13-6-3-7-14-27)25-41-36(45)30-15-8-9-16-31(30)37(41)46/h2-9,11-16,18-21,32-33H,10,17,22-25H2,1H3,(H,39,43)(H,40,44)/t32-,33-,51?/m0/s1 |
| InChIKey | UVTUHMBGTBIHBG-ANGAWLSKSA-N |
| Mol Weight | 708.7 g/mol |
| Molecular Formula | C38H37N4O8P |
| Exact Mass | 708.234901 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2PPBxtf3DaZ |
|---|---|
| Name | PHT=GLY-OMEGA-(PO2BN-N)PRO-PHE-PCMA |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H37N4O8P |
| InChI | InChI=1S/C38H37N4O8P/c1-49-38(47)28-18-20-29(21-19-28)39-34(43)32(23-26-11-4-2-5-12-26)40-35(44)33-17-10-22-42(33)51(48,50-24-27-13-6-3-7-14-27)25-41-36(45)30-15-8-9-16-31(30)37(41)46/h2-9,11-16,18-21,32-33H,10,17,22-25H2,1H3,(H,39,43)(H,40,44)/t32-,33-,51?/m0/s1 |
| InChIKey | UVTUHMBGTBIHBG-ANGAWLSKSA-N |
| Literature Reference Author | L.DEMANGE,M.MOUTIEZ,C.DUGAVE |
| Literature Reference Citation | J.MED.CHEM.,45,3928(2002) |
| Literature Reference DOI | 10.1021/jm020865i |
| Molecular Weight | 708.708 g/mol |
| Sample ID | 64816 |
| Solvent | CDCl3 |