![benzyl (5R)-6-[(2-amino-2-oxoethyl)amino]-5-{[(benzyloxy)carbonyl]amino}-6-oxohexylcarbamate](/api/spectrum/4QBvebXwjgA/structure.png?h=300&w=458 "benzyl (5R)-6-[(2-amino-2-oxoethyl)amino]-5-{[(benzyloxy)carbonyl]amino}-6-oxohexylcarbamate")
| SpectraBase Compound ID | 5Y3hSWX111h |
|---|---|
| InChI | InChI=1S/C24H30N4O6/c25-21(29)15-27-22(30)20(28-24(32)34-17-19-11-5-2-6-12-19)13-7-8-14-26-23(31)33-16-18-9-3-1-4-10-18/h1-6,9-12,20H,7-8,13-17H2,(H2,25,29)(H,26,31)(H,27,30)(H,28,32) |
| InChIKey | GLYDXQWFLWDSOL-UHFFFAOYSA-N |
| Mol Weight | 470.53 g/mol |
| Molecular Formula | C24H30N4O6 |
| Exact Mass | 470.216535 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4QBvebXwjgA |
|---|---|
| Name | Benzyl (5R)-6-[(2-amino-2-oxoethyl)amino]-5-{[(benzyloxy)carbonyl]amino}-6-oxohexylcarbamate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 470.216534696 u |
| Formula | C24H30N4O6 |
| InChI | InChI=1S/C24H30N4O6/c25-21(29)15-27-22(30)20(28-24(32)34-17-19-11-5-2-6-12-19)13-7-8-14-26-23(31)33-16-18-9-3-1-4-10-18/h1-6,9-12,20H,7-8,13-17H2,(H2,25,29)(H,26,31)(H,27,30)(H,28,32) |
| InChIKey | GLYDXQWFLWDSOL-UHFFFAOYSA-N |
| Molecular Weight | 470.526 g/mol |
| SMILES | N(C(=O)OCC=1C=CC=CC1)C(CCCCNC(=O)OCC1=CC=CC=C1)C(NCC(=O)N)=O |