Ritonavir
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU219234
Dataset description:
This MassBank record with Accession MSBNK-Athens_Univ-AU219234 contains the MS2 mass spectrum of Ritonavir with the InChIkey NCDNCNXCDXHOMX-XGKFQTDJSA-N.
Source: Ritonavir
Chemical Info
| InChI | InChI=1S/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t28-,31-,32-,33-/m0/s1 |
|---|---|
| SMILES | CC(C)c1nc(cs1)CN(C)/C(=N\[C@@H](C(C)C)/C(=N\[C@@H](Cc2ccccc2)C[C@@H]([C@H](Cc3ccccc3)/N=C(\O)/OCc4cncs4)O)/O)/O |
| InChI Key | NCDNCNXCDXHOMX-XGKFQTDJSA-N |
| Molecular Formula | C37H48N6O5S2 |
| Exact Mass | 720.313 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 | No License Provided |
| Id | 10d50a89-3942-4a83-ba2f-3aa28c3dd55f |
| Package id | msbnk-athens_univ-au219234 |
| Resource type | HTML |
| State | active |