Indinavir
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000786
Dataset description:
This MassBank record with Accession MSBNK-Waters-WA000786 contains the MS mass spectrum of Indinavir with the InChIkey CBVCZFGXHXORBI-PXQQMZJSSA-N.
Source: Indinavir
Chemical Info
| InChI | InChI=1S/C36H47N5O4/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45)/t28-,29+,31+,32-,33+/m1/s1 |
|---|---|
| SMILES | C(C(NC(=O)C(CC(CN(C4)C(C(=O)NC(C)(C)C)CN(Cc(c5)cncc5)C4)O)Cc(c3)cccc3)1)(Cc(c2)c1ccc2)O |
| InChI Key | CBVCZFGXHXORBI-PXQQMZJSSA-N |
| Molecular Formula | C36H47N5O4 |
| Exact Mass | 613.363 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 | 5ac0cc2b-95b3-4355-97a1-4545deea96f9 |
| Package id | msbnk-waters-wa000786 |
| Resource type | HTML |
| State | active |