| SpectraBase Compound ID | 9uiU6IEgsIA |
|---|---|
| InChI | InChI=1S/2C48H50N5O9P/c2*1-32(50-48(58)61-30-41-39-20-11-9-18-37(39)38-19-10-12-21-40(38)41)44(54)49-31-63(59,62-29-34-16-7-4-8-17-34)53-27-13-22-43(53)46(56)52-42(28-33-14-5-3-6-15-33)45(55)51-36-25-23-35(24-26-36)47(57)60-2/h2*3-12,14-21,23-26,32,41-43H,13,22,27-31H2,1-2H3,(H,49,54)(H,50,58)(H,51,55)(H,52,56)/t2*32-,42-,43?,63?/m00/s1 |
| InChIKey | QTRMFNRXFOPHQC-KYWPJHFASA-N |
| Mol Weight | 1743.9 g/mol |
| Molecular Formula | C96H100N10O18P2 |
| Exact Mass | 1742.66923 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JIJ5rKlS6Vk |
|---|---|
| Name | FMOC-ALA-GLY-OMEGA-(PO2BN-N)PRO-PHE-PCMA |
| Compound Number | 10 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C96H100N10O18P2 |
| InChI | InChI=1S/2C48H50N5O9P/c2*1-32(50-48(58)61-30-41-39-20-11-9-18-37(39)38-19-10-12-21-40(38)41)44(54)49-31-63(59,62-29-34-16-7-4-8-17-34)53-27-13-22-43(53)46(56)52-42(28-33-14-5-3-6-15-33)45(55)51-36-25-23-35(24-26-36)47(57)60-2/h2*3-12,14-21,23-26,32,41-43H,13,22,27-31H2,1-2H3,(H,49,54)(H,50,58)(H,51,55)(H,52,56)/t2*32-,42-,43?,63?/m00/s1 |
| InChIKey | QTRMFNRXFOPHQC-KYWPJHFASA-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 | 1743.854 g/mol |
| Sample ID | 64817 |
| Solvent | CDCl3 |