![(3R,4R,5R)-5-Benzyloxy-N-[(1S)-1-(tert-butoxycarbonyl)-3-methylbutyl]-4-(o-nitrobenzenesulfonamido)-3-piperidinopiperidin-2-one](/api/spectrum/2PaYRcKHhMT/structure.png?h=300&w=458 "(3R,4R,5R)-5-Benzyloxy-N-[(1S)-1-(tert-butoxycarbonyl)-3-methylbutyl]-4-(o-nitrobenzenesulfonamido)-3-piperidinopiperidin-2-one")
| SpectraBase Compound ID | GCkZoJHVSly |
|---|---|
| InChI | InChI=1S/C33H46N4O8S/c1-23(2)20-26(32(39)45-33(3,4)5)36-21-27(44-22-24-14-8-6-9-15-24)29(30(31(36)38)35-18-12-7-13-19-35)34-46(42,43)28-17-11-10-16-25(28)37(40)41/h6,8-11,14-17,23,26-27,29-30,34H,7,12-13,18-22H2,1-5H3/t26-,27+,29-,30+/m0/s1 |
| InChIKey | UWCQARRUIIVEMT-GCRMGGTCSA-N |
| Mol Weight | 658.8 g/mol |
| Molecular Formula | C33H46N4O8S |
| Exact Mass | 658.303636 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2PaYRcKHhMT |
|---|---|
| Name | (3R,4R,5R)-5-Benzyloxy-N-[(1S)-1-(tert-butoxycarbonyl)-3-methylbutyl]-4-(o-nitrobenzenesulfonamido)-3-piperidinopiperidin-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 658.303635623 u |
| Formula | C33H46N4O8S |
| InChI | InChI=1S/C33H46N4O8S/c1-23(2)20-26(32(39)45-33(3,4)5)36-21-27(44-22-24-14-8-6-9-15-24)29(30(31(36)38)35-18-12-7-13-19-35)34-46(42,43)28-17-11-10-16-25(28)37(40)41/h6,8-11,14-17,23,26-27,29-30,34H,7,12-13,18-22H2,1-5H3/t26-,27+,29-,30+/m0/s1 |
| InChIKey | UWCQARRUIIVEMT-GCRMGGTCSA-N |
| SMILES | C=1(S(N[C@@]2([C@](C(=O)N(C[C@]2(OCC=2C=CC=CC2)[H])[C@](C(OC(C)(C)C)=O)(CC(C)C)[H])(N2CCCCC2)[H])[H])(=O)=O)C(N(=O)=O)=CC=CC1 |