Saquinavir
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001496
Dataset description:
This MassBank record with Accession MSBNK-Waters-WA001496 contains the MS mass spectrum of Saquinavir with the InChIkey QWAXKHKRTORLEM-UGJKXSETSA-N.
Source: Saquinavir
Chemical Info
| InChI | InChI=1S/C38H50N6O5/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49)/t26-,27+,30-,31-,32-,33+/m0/s1 |
|---|---|
| SMILES | C(c(n5)ccc(c54)cccc4)(NC(CC(N)=O)C(=O)NC(C(CN(C3)C(CC(C32[H])(CCCC2)[H])C(NC(C)(C)C)=O)O)Cc(c1)cccc1)=O |
| InChI Key | QWAXKHKRTORLEM-UGJKXSETSA-N |
| Molecular Formula | C38H50N6O5 |
| Exact Mass | 670.384 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | January 11, 2024 |
| Metadata last updated | January 11, 2024 |
| Created | January 11, 2024 |
| Format | HTML |
| License | Attribution-NonCommercial 4.0 International (CC BY-NC 4.0) |
| Id | aba640b0-3efc-4a70-9f16-aa2d7b2bd6e6 |
| Package id | msbnk-waters-wa001496 |
| Resource type | HTML |
| State | active |