Nelfinavir
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000756
Dataset description:
This MassBank record with Accession MSBNK-Waters-WA000756 contains the MS mass spectrum of Nelfinavir with the InChIkey QAGYKUNXZHXKMR-HKWSIXNMSA-N.
Source: Nelfinavir
Chemical Info
| InChI | InChI=1S/C32H45N3O4S/c1-21-25(15-10-16-28(21)36)30(38)33-26(20-40-24-13-6-5-7-14-24)29(37)19-35-18-23-12-9-8-11-22(23)17-27(35)31(39)34-32(2,3)4/h5-7,10,13-16,22-23,26-27,29,36-37H,8-9,11-12,17-20H2,1-4H3,(H,33,38)(H,34,39)/t22-,23+,26-,27-,29+/m0/s1 |
|---|---|
| SMILES | c(c(O)1)(c(C(=O)NC(C(O)CN(C(C(NC(C)(C)C)=O)4)CC(C(C4)3[H])(CCCC3)[H])CSc(c2)cccc2)ccc1)C |
| InChI Key | QAGYKUNXZHXKMR-HKWSIXNMSA-N |
| Molecular Formula | C32H45N3O4S |
| Exact Mass | 567.313 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 | 95e6315b-b66d-43fe-8c8a-32c3a6797c80 |
| Package id | msbnk-waters-wa000756 |
| Resource type | HTML |
| State | active |