| SpectraBase Compound ID | 4adHYX2noxN |
|---|---|
| InChI | InChI=1S/C19H28N4O5/c1-4-12(2)16(17(20)25)23-18(26)13(3)22-15(24)10-21-19(27)28-11-14-8-6-5-7-9-14/h5-9,12-13,16H,4,10-11H2,1-3H3,(H2,20,25)(H,21,27)(H,22,24)(H,23,26) |
| InChIKey | ZJNITTSQIVIBPV-UHFFFAOYSA-N |
| Mol Weight | 392.46 g/mol |
| Molecular Formula | C19H28N4O5 |
| Exact Mass | 392.20597 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6wHQgIm7q79 |
|---|---|
| Name | Benzyl (2-((1-((1-amino-3-methyl-1-oxopentan-2-yl)amino)-1-oxopropan-2-yl)amino)-2-oxoethyl)carbamate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 392.205970013 u |
| Formula | C19H28N4O5 |
| InChI | InChI=1S/C19H28N4O5/c1-4-12(2)16(17(20)25)23-18(26)13(3)22-15(24)10-21-19(27)28-11-14-8-6-5-7-9-14/h5-9,12-13,16H,4,10-11H2,1-3H3,(H2,20,25)(H,21,27)(H,22,24)(H,23,26) |
| InChIKey | ZJNITTSQIVIBPV-UHFFFAOYSA-N |
| Molecular Weight | 392.456 g/mol |
| SMILES | N(C(=O)OCC=1C=CC=CC1)CC(NC(C(NC(C(=O)N)C(CC)C)=O)C)=O |