SpectraBase Compound ID | ACGrCgGZFtZ |
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InChI | InChI=1S/C12H16N2O5S/c1-8-2-4-9(5-3-8)20(18,19)14-10(12(16)17)6-7-11(13)15/h2-5,10,14H,6-7H2,1H3,(H2,13,15)(H,16,17) |
InChIKey | YDNYEJZZJXFADP-UHFFFAOYSA-N |
Mol Weight | 300.33 g/mol |
Molecular Formula | C12H16N2O5S |
Exact Mass | 300.077993 g/mol |
SpectraBase Spectrum ID | KSb6ugxXpHg |
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Name | N2-(p-Tolylsulfonyl)-L-glutamine |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 300.077992792 u |
Formula | C12H16N2O5S |
InChI | InChI=1S/C12H16N2O5S/c1-8-2-4-9(5-3-8)20(18,19)14-10(12(16)17)6-7-11(13)15/h2-5,10,14H,6-7H2,1H3,(H2,13,15)(H,16,17) |
InChIKey | YDNYEJZZJXFADP-UHFFFAOYSA-N |
SMILES | N(S(C1=CC=C(C=C1)C)(=O)=O)C(C(O)=O)CCC(N)=O |