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SpectraBase Compound ID | JQVwX8lVu3r |
---|---|
InChI | InChI=1S/C24H24N2O6/c1-2-12-32-24(31)25-22(23(29)30)18(13-21(27)28)19-15-26(14-16-8-4-3-5-9-16)20-11-7-6-10-17(19)20/h2-11,15,18,22H,1,12-14H2,(H,25,31)(H,27,28)(H,29,30)/t18-,22-/m0/s1 |
InChIKey | BMXOGXCYAAERHR-AVRDEDQJSA-N |
Mol Weight | 436.46 g/mol |
Molecular Formula | C24H24N2O6 |
Exact Mass | 436.163436 g/mol |
SpectraBase Spectrum ID | 11DGTe4aOok |
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Name | (2S,3S)-2-(Allyloxycarbonylamino)-3-(1-benzylindol-3-yl)glutaric acid |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 436.163436495 u |
Formula | C24H24N2O6 |
InChI | InChI=1S/C24H24N2O6/c1-2-12-32-24(31)25-22(23(29)30)18(13-21(27)28)19-15-26(14-16-8-4-3-5-9-16)20-11-7-6-10-17(19)20/h2-11,15,18,22H,1,12-14H2,(H,25,31)(H,27,28)(H,29,30)/t18-,22-/m0/s1 |
InChIKey | BMXOGXCYAAERHR-AVRDEDQJSA-N |
Molecular Weight | 436.464 g/mol |
SMILES | C1(=CN(CC2=CC=CC=C2)C2=C1C=CC=C2)[C@@]([C@](NC(=O)OCC=C)(C(=O)O)[H])(CC(=O)O)[H] |