| SpectraBase Compound ID | LUqwHUgHCKv |
|---|---|
| InChI | InChI=1S/C22H37N3O2/c1-4-5-6-7-8-12-15-24-21(26)19(16-18-13-10-9-11-14-18)25-22(27)20(23)17(2)3/h9-11,13-14,17,19-20H,4-8,12,15-16,23H2,1-3H3,(H,24,26)(H,25,27)/t19-,20-/m0/s1 |
| InChIKey | NSEFSINCPFOIOH-PMACEKPBSA-N |
| Mol Weight | 375.6 g/mol |
| Molecular Formula | C22H37N3O2 |
| Exact Mass | 375.288577 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EFrf8BrY4FO |
|---|---|
| Name | 2(S)-Amino-3-methyl-N-(1-octylcarbamoyl-2(S)-phenyl-ethyl)-butyramide |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H37N3O2 |
| InChI | InChI=1S/C22H37N3O2/c1-4-5-6-7-8-12-15-24-21(26)19(16-18-13-10-9-11-14-18)25-22(27)20(23)17(2)3/h9-11,13-14,17,19-20H,4-8,12,15-16,23H2,1-3H3,(H,24,26)(H,25,27)/t19-,20-/m0/s1 |
| InChIKey | NSEFSINCPFOIOH-PMACEKPBSA-N |
| Literature Reference DOI | 10.1002/adsc.201000419 |
| Molecular Weight | 375.557 g/mol |
| SMILES | N(C([C@@](N)(C(C)C)[H])=O)[C@](C(NCCCCCCCC)=O)(Cc1ccccc1)[H] |
| SPLASH | splash10-00di-9531000000-6b3a1fff0158f0c0ad64 |
| Source of Spectrum | ASC-352-2421/SM5-7a |
| Synonyms | (S)-Val-(S)-Phe-octylamide (S)-2-amino-3-methyl-N-((S)-1-(octylamino)-1-oxo-3-phenylpropan-2-yl)butanamide |
| Wiley ID | 1763997 |