| SpectraBase Compound ID | 6PoegxnBIoI |
|---|---|
| InChI | InChI=1S/C24H26BrN3O5/c1-14(2)20(28-24(32)33-13-15-7-4-3-5-8-15)22(29)27-19(23(30)31)11-16-12-26-21-17(16)9-6-10-18(21)25/h3-10,12,14,19-20,26H,11,13H2,1-2H3,(H,27,29)(H,28,32)(H,30,31)/t19-,20-/m0/s1 |
| InChIKey | KICNMTXBKACQFL-PMACEKPBSA-N |
| Mol Weight | 516.39 g/mol |
| Molecular Formula | C24H26BrN3O5 |
| Exact Mass | 515.105584 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 64SJAOZmeHb |
|---|---|
| Name | (S)-2-((S)-2-Benzyloxycarbonylamino-3-methyl-butyrylamino)-3-(7-bromo-1H-indol-3-yl)-propionic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C24H26BrN3O5 |
| InChI | InChI=1S/C24H26BrN3O5/c1-14(2)20(28-24(32)33-13-15-7-4-3-5-8-15)22(29)27-19(23(30)31)11-16-12-26-21-17(16)9-6-10-18(21)25/h3-10,12,14,19-20,26H,11,13H2,1-2H3,(H,27,29)(H,28,32)(H,30,31)/t19-,20-/m0/s1 |
| InChIKey | KICNMTXBKACQFL-PMACEKPBSA-N |
| Molecular Weight | 516.392 g/mol |
| SMILES | [nH]1cc(C[C@@](C(=O)O)(NC([C@@](NC(=O)OCc2ccccc2)(C(C)C)[H])=O)[H])c2c1c(Br)ccc2 |
| SPLASH | splash10-0awi-3512930000-006ff225f64917f7cdcf |
| Source of Spectrum | F-66-6494-36 |
| Wiley ID | 1683584 |