| SpectraBase Compound ID | WMMQIcSeGJ |
|---|---|
| InChI | InChI=1S/C27H30N4O4/c1-19(2)15-24(30-34)26(32)31(14-8-13-28)25(27(33)35-18-20-9-4-3-5-10-20)16-21-17-29-23-12-7-6-11-22(21)23/h3-7,9-12,17,19,25,29,34H,8,14-16,18H2,1-2H3/b30-24+/t25-/m0/s1 |
| InChIKey | BHVOQIMCMJLRCZ-WACOGBTOSA-N |
| Mol Weight | 474.56 g/mol |
| Molecular Formula | C27H30N4O4 |
| Exact Mass | 474.226705 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7fW7GFqL8iT |
|---|---|
| Name | N-(2-Cyanoethyl)-N-(2-hydroxyiminoisohexenoyl)-L-tryptophan benzyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H30N4O4 |
| InChI | InChI=1S/C27H30N4O4/c1-19(2)15-24(30-34)26(32)31(14-8-13-28)25(27(33)35-18-20-9-4-3-5-10-20)16-21-17-29-23-12-7-6-11-22(21)23/h3-7,9-12,17,19,25,29,34H,8,14-16,18H2,1-2H3/b30-24+/t25-/m0/s1 |
| InChIKey | BHVOQIMCMJLRCZ-WACOGBTOSA-N |
| Molecular Weight | 474.561 g/mol |
| SMILES | O\N=C\(C(N([C@@](Cc1c[nH]c2c1cccc2)(C(OCc1ccccc1)=O)[H])CCC#N)=O)CC(C)C |
| SPLASH | splash10-001i-0910000000-91965f314ae8bacc9ae4 |
| Source of Spectrum | F-56-7430-3 |
| Wiley ID | 858588 |