![2-[(4-Methyl-2-pyridinyl)amino]-2-oxoethyl 2-(benzoylamino)-4-methylpentanoate](/api/spectrum/L1ViHKmOdBJ/structure.png?h=300&w=458 "2-[(4-Methyl-2-pyridinyl)amino]-2-oxoethyl 2-(benzoylamino)-4-methylpentanoate")
| SpectraBase Compound ID | 6YIYu7C3JqF |
|---|---|
| InChI | InChI=1S/C21H25N3O4/c1-14(2)11-17(23-20(26)16-7-5-4-6-8-16)21(27)28-13-19(25)24-18-12-15(3)9-10-22-18/h4-10,12,14,17H,11,13H2,1-3H3,(H,23,26)(H,22,24,25) |
| InChIKey | HPRMBWOUJFVNKC-UHFFFAOYSA-N |
| Mol Weight | 383.45 g/mol |
| Molecular Formula | C21H25N3O4 |
| Exact Mass | 383.184506 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L1ViHKmOdBJ |
|---|---|
| Name | 2-[(4-Methyl-2-pyridinyl)amino]-2-oxoethyl 2-(benzoylamino)-4-methylpentanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 383.184506293 u |
| Formula | C21H25N3O4 |
| InChI | InChI=1S/C21H25N3O4/c1-14(2)11-17(23-20(26)16-7-5-4-6-8-16)21(27)28-13-19(25)24-18-12-15(3)9-10-22-18/h4-10,12,14,17H,11,13H2,1-3H3,(H,23,26)(H,22,24,25) |
| InChIKey | HPRMBWOUJFVNKC-UHFFFAOYSA-N |
| Molecular Weight | 383.448 g/mol |
| SMILES | N(C(=O)C1=CC=CC=C1)C(C(OCC(NC=1N=CC=C(C1)C)=O)=O)CC(C)C |