| SpectraBase Compound ID | 3gOhZIciNzN |
|---|---|
| InChI | InChI=1S/C25H31N3O6/c1-3-19(18-13-9-6-10-14-18)26-23(31)20(4-2)27-24(32)21(15-22(29)30)28-25(33)34-16-17-11-7-5-8-12-17/h5-14,19-21H,3-4,15-16H2,1-2H3,(H,26,31)(H,27,32)(H,28,33)(H,29,30)/t19-,20+,21-/m0/s1 |
| InChIKey | CVBUDGBHZNISOM-HBMCJLEFSA-N |
| Mol Weight | 469.54 g/mol |
| Molecular Formula | C25H31N3O6 |
| Exact Mass | 469.221286 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FChzCze8dge |
|---|---|
| Name | N-(Benzyloxycarbonyl)-L-aspartyl-2-aminobutyric acid - .alpha.-phenyl(propyl)amide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H31N3O6 |
| InChI | InChI=1S/C25H31N3O6/c1-3-19(18-13-9-6-10-14-18)26-23(31)20(4-2)27-24(32)21(15-22(29)30)28-25(33)34-16-17-11-7-5-8-12-17/h5-14,19-21H,3-4,15-16H2,1-2H3,(H,26,31)(H,27,32)(H,28,33)(H,29,30)/t19-,20+,21-/m0/s1 |
| InChIKey | CVBUDGBHZNISOM-HBMCJLEFSA-N |
| Molecular Weight | 469.538 g/mol |
| SMILES | N(C([C@](CC(=O)O)(NC(=O)OCc1ccccc1)[H])=O)[C@@](C(N[C@](c1ccccc1)(CC)[H])=O)(CC)[H] |
| SPLASH | splash10-0a4l-9300000000-131f15835a0f9161a4a0 |
| Source of Spectrum | OP-29-182-8 |
| Synonyms | (3S)-4-oxo-4-[[(2R)-1-oxo-1-[[(1S)-1-phenylpropyl]amino]butan-2-yl]amino]-3-(phenylmethoxycarbonylamino)butanoic acid (3S)-3-(benzyloxycarbonylamino)-4-oxo-4-[[(1R)-1-[[(1S)-1-phenylpropyl]carbamoyl]propyl]amino]butanoic acid (3S)-4-oxidanylidene-4-[[(2R)-1-oxidanylidene-1-[[(1S)-1-phenylpropyl]amino]butan-2-yl]amino]-3-(phenylmethoxycarbonylamino)butanoic acid |
| Wiley ID | 850875 |