| SpectraBase Compound ID | 7IfruyY4w6A |
|---|---|
| InChI | InChI=1S/C22H29N3O5/c1-13(2)18-21(28)25-17(12-8-11-16-9-6-5-7-10-16)20(27)23-14(3)19(26)24-15(4)22(29)30-18/h5-7,9-10,13,15,17-18H,3,8,11-12H2,1-2,4H3,(H,23,27)(H,24,26)(H,25,28) |
| InChIKey | STNGYOBVEDNUSB-UHFFFAOYSA-N |
| Mol Weight | 415.49 g/mol |
| Molecular Formula | C22H29N3O5 |
| Exact Mass | 415.210721 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4SXIOBkiKu |
|---|---|
| Name | Am toxin II |
| CAS Registry Number | 56072-96-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H29N3O5 |
| InChI | InChI=1S/C22H29N3O5/c1-13(2)18-21(28)25-17(12-8-11-16-9-6-5-7-10-16)20(27)23-14(3)19(26)24-15(4)22(29)30-18/h5-7,9-10,13,15,17-18H,3,8,11-12H2,1-2,4H3,(H,23,27)(H,24,26)(H,25,28) |
| InChIKey | STNGYOBVEDNUSB-UHFFFAOYSA-N |
| Molecular Weight | 415.490 g/mol |
| SMILES | N1C(C(NC(=C)C(NC(C(OC(C1=O)C(C)C)=O)C)=O)=O)CCCc1ccccc1 |
| SPLASH | splash10-0006-5921000000-392e5f05c38d9aaf1da9 |
| Source of Spectrum | KO-4-140-6 |
| Synonyms | L-alanine, N-(2,3-didehydro-N-(N-(2-hydroxy-3-methyl-1-oxobutyl)-5-phenyl-L-norvalyl)alanyl)-, kappa-lactone, (S)- |
| Wiley ID | 1375983 |