![Xanthine, 1,3-dipropyl-8-[4-[.beta.-[(benzyloxycarbonylamino)acetylamino]](/api/spectrum/5tZ6S7ytVkU/structure.png?h=300&w=458 "Xanthine, 1,3-dipropyl-8-[4-[.beta.-[(benzyloxycarbonylamino)acetylamino]")
| SpectraBase Compound ID | HwplYSoqdVH |
|---|---|
| InChI | InChI=1S/C31H37N7O7/c1-3-16-37-28-26(29(41)38(17-4-2)31(37)43)35-27(36-28)22-10-12-23(13-11-22)44-20-25(40)33-15-14-32-24(39)18-34-30(42)45-19-21-8-6-5-7-9-21/h5-13H,3-4,14-20H2,1-2H3,(H,32,39)(H,33,40)(H,34,42)(H,35,36) |
| InChIKey | MAXKVPSTJJFVJS-UHFFFAOYSA-N |
| Mol Weight | 619.7 g/mol |
| Molecular Formula | C31H37N7O7 |
| Exact Mass | 619.275447 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 5tZ6S7ytVkU |
|---|---|
| Name | Xanthine, 1,3-dipropyl-8-[4-[.beta.-[(benzyloxycarbonylamino)acetylamino] |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 619.275446552 u |
| Formula | C31H37N7O7 |
| InChI | InChI=1S/C31H37N7O7/c1-3-16-37-28-26(29(41)38(17-4-2)31(37)43)35-27(36-28)22-10-12-23(13-11-22)44-20-25(40)33-15-14-32-24(39)18-34-30(42)45-19-21-8-6-5-7-9-21/h5-13H,3-4,14-20H2,1-2H3,(H,32,39)(H,33,40)(H,34,42)(H,35,36) |
| InChIKey | MAXKVPSTJJFVJS-UHFFFAOYSA-N |
| Molecular Weight | 619.679 g/mol |
| SMILES | C12=C(C(N(C(N2CCC)=O)CCC)=O)NC(=N1)C1=CC=C(OCC(NCCNC(=O)CNC(=O)OCC2=CC=CC=C2)=O)C=C1 |