| SpectraBase Compound ID | FeH0fmMTp2m |
|---|---|
| InChI | InChI=1S/C24H37N3O6/c1-16(2)13-19(22(29)27-20(14-17(3)4)23(30)32-5)26-21(28)11-12-25-24(31)33-15-18-9-7-6-8-10-18/h6-10,16-17,19-20H,11-15H2,1-5H3,(H,25,31)(H,26,28)(H,27,29)/t19-,20-/m0/s1 |
| InChIKey | SJCDYKWGKKQSRL-PMACEKPBSA-N |
| Mol Weight | 463.6 g/mol |
| Molecular Formula | C24H37N3O6 |
| Exact Mass | 463.268236 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DQ2eZCUJ89R |
|---|---|
| Name | Methyl-N-(benzyloxycarbonyl)-beta-alanylleucylleucine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 463.268235917 u |
| Formula | C24H37N3O6 |
| InChI | InChI=1S/C24H37N3O6/c1-16(2)13-19(22(29)27-20(14-17(3)4)23(30)32-5)26-21(28)11-12-25-24(31)33-15-18-9-7-6-8-10-18/h6-10,16-17,19-20H,11-15H2,1-5H3,(H,25,31)(H,26,28)(H,27,29)/t19-,20-/m0/s1 |
| InChIKey | SJCDYKWGKKQSRL-PMACEKPBSA-N |
| Molecular Weight | 463.575 g/mol |
| SMILES | C(N[C@](C(=O)OC)(CC(C)C)[H])([C@@](NC(CCNC(=O)OCC=1C=CC=CC1)=O)(CC(C)C)[H])=O |