![#25;o-Ethyl-[N-(benzyloxycarbonyl)-N-[4-[N'-(benzyloxycarbonyl)-amino]-butyl]-4-aminobutyl]-[[(alpha-o-benzyl-Z-gamma-glutamylalaninyl)-amino]-methyl]-phosphin](/api/spectrum/bwbO9jNlRX/structure.png?h=300&w=458 "#25;o-Ethyl-[N-(benzyloxycarbonyl)-N-[4-[N'-(benzyloxycarbonyl)-amino]-butyl]-4-aminobutyl]-[[(alpha-o-benzyl-Z-gamma-glutamylalaninyl)-amino]-methyl]-phosphin")
| SpectraBase Compound ID | FrcYDM62BzO |
|---|---|
| InChI | InChI=1S/C50H64N5O12P/c1-3-67-68(62,33-19-18-32-55(50(61)66-37-43-26-14-7-15-27-43)31-17-16-30-51-48(59)64-35-41-22-10-5-11-23-41)38-52-46(57)39(2)53-45(56)29-28-44(47(58)63-34-40-20-8-4-9-21-40)54-49(60)65-36-42-24-12-6-13-25-42/h4-15,20-27,39,44H,3,16-19,28-38H2,1-2H3,(H,51,59)(H,52,57)(H,53,56)(H,54,60)/t39-,44-,68?/m0/s1 |
| InChIKey | HMLZSXDLAOTCFL-JAXPPPABSA-N |
| Mol Weight | 958.1 g/mol |
| Molecular Formula | C50H64N5O12P |
| Exact Mass | 957.42891 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | bwbO9jNlRX |
|---|---|
| Name | #25;o-Ethyl-[N-(benzyloxycarbonyl)-N-[4-[N'-(benzyloxycarbonyl)-amino]-butyl]-4-aminobutyl]-[[(alpha-o-benzyl-Z-gamma-glutamylalaninyl)-amino]-methyl]-phosphin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 957.428909507 u |
| Formula | C50H64N5O12P |
| InChI | InChI=1S/C50H64N5O12P/c1-3-67-68(62,33-19-18-32-55(50(61)66-37-43-26-14-7-15-27-43)31-17-16-30-51-48(59)64-35-41-22-10-5-11-23-41)38-52-46(57)39(2)53-45(56)29-28-44(47(58)63-34-40-20-8-4-9-21-40)54-49(60)65-36-42-24-12-6-13-25-42/h4-15,20-27,39,44H,3,16-19,28-38H2,1-2H3,(H,51,59)(H,52,57)(H,53,56)(H,54,60)/t39-,44-,68?/m0/s1 |
| InChIKey | HMLZSXDLAOTCFL-JAXPPPABSA-N |
| Molecular Weight | 958.059 g/mol |
| SMILES | C(OC(=O)N[C@@](CCC(=O)N[C@@](C)(C(=O)NCP(=O)(OCC)CCCCN(CCCCNC(=O)OCC1=CC=CC=C1)C(=O)OCC1=CC=CC=C1)[H])(C(=O)OCC1=CC=CC=C1)[H])C1=CC=CC=C1 |