Alitame
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU580806
Dataset description:
This MassBank record with Accession MSBNK-Athens_Univ-AU580806 contains the MS2 mass spectrum of Alitame with the InChIkey IVBOUFAWPCPFTQ-SFYZADRCSA-N.
Source: Alitame
Chemical Info
| InChI | InChI=1S/C14H25N3O4S/c1-7(16-11(21)8(15)6-9(18)19)10(20)17-12-13(2,3)22-14(12,4)5/h7-8,12H,6,15H2,1-5H3,(H,16,21)(H,17,20)(H,18,19)/t7-,8+/m1/s1 |
|---|---|
| SMILES | C[C@H](C(=O)NC1C(SC1(C)C)(C)C)NC(=O)[C@H](CC(=O)O)N |
| InChI Key | IVBOUFAWPCPFTQ-SFYZADRCSA-N |
| Molecular Formula | C14H25N3O4S |
| Exact Mass | 331.157 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 4.0 International (CC BY 4.0) |
| Id | a41141d0-355e-4495-90bd-07038a6306d1 |
| Package id | msbnk-athens_univ-au580806 |
| Resource type | HTML |
| State | active |