![benzyl 3-{[(1S)-1-(aminocarbonyl)-2-methylpropyl]amino}-3-oxopropylcarbamate](/api/spectrum/GmMWHGf1CqX/structure.png?h=300&w=458 "benzyl 3-{[(1S)-1-(aminocarbonyl)-2-methylpropyl]amino}-3-oxopropylcarbamate")
| SpectraBase Compound ID | E1QAkpkZeAC |
|---|---|
| InChI | InChI=1S/C16H23N3O4/c1-11(2)14(15(17)21)19-13(20)8-9-18-16(22)23-10-12-6-4-3-5-7-12/h3-7,11,14H,8-10H2,1-2H3,(H2,17,21)(H,18,22)(H,19,20) |
| InChIKey | LSVIHWAWMQIOFE-UHFFFAOYSA-N |
| Mol Weight | 321.38 g/mol |
| Molecular Formula | C16H23N3O4 |
| Exact Mass | 321.168856 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GmMWHGf1CqX |
|---|---|
| Name | Benzyl 3-{[(1S)-1-(aminocarbonyl)-2-methylpropyl]amino}-3-oxopropylcarbamate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 321.168856229 u |
| Formula | C16H23N3O4 |
| InChI | InChI=1S/C16H23N3O4/c1-11(2)14(15(17)21)19-13(20)8-9-18-16(22)23-10-12-6-4-3-5-7-12/h3-7,11,14H,8-10H2,1-2H3,(H2,17,21)(H,18,22)(H,19,20) |
| InChIKey | LSVIHWAWMQIOFE-UHFFFAOYSA-N |
| Molecular Weight | 321.377 g/mol |
| SMILES | N(C(=O)OCC1=CC=CC=C1)CCC(NC(C(=O)N)C(C)C)=O |