SpectraBase Spectrum ID |
5Weg2rpjCyL |
Name |
Glutamine, N~2~-[[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl]- |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
365.077848322 u |
Formula |
C16H16ClN3O5 |
InChI |
InChI=1S/C16H16ClN3O5/c1-8-13(14(20-25-8)9-4-2-3-5-10(9)17)15(22)19-11(16(23)24)6-7-12(18)21/h2-5,11H,6-7H2,1H3,(H2,18,21)(H,19,22)(H,23,24) |
InChIKey |
NXEMZXBNHFUICE-UHFFFAOYSA-N |
Molecular Weight |
365.773 g/mol |
SMILES |
N(C(C=1C(=NOC1C)C=1C(Cl)=CC=CC1)=O)C(CCC(=O)N)C(=O)O |