| SpectraBase Compound ID | 5BjMaveQIer |
|---|---|
| InChI | InChI=1S/C24H37N3O7/c1-14(2)12-18(23(31)33-6)25-22(30)20(16(5)28)26-21(29)19(15(3)4)27-24(32)34-13-17-10-8-7-9-11-17/h7-11,14-16,18-20,28H,12-13H2,1-6H3,(H,25,30)(H,26,29)(H,27,32)/t16-,18?,19?,20?/m1/s1 |
| InChIKey | TYZGLRVZJGQEAN-WCCXYEOISA-N |
| Mol Weight | 479.6 g/mol |
| Molecular Formula | C24H37N3O7 |
| Exact Mass | 479.263151 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LTASa8Gw5Jx |
|---|---|
| Name | (N-(Benzyloxycarbonyl)-D-valyl)-L-threonyl-L-leucine methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 479.263150536 u |
| Formula | C24H37N3O7 |
| InChI | InChI=1S/C24H37N3O7/c1-14(2)12-18(23(31)33-6)25-22(30)20(16(5)28)26-21(29)19(15(3)4)27-24(32)34-13-17-10-8-7-9-11-17/h7-11,14-16,18-20,28H,12-13H2,1-6H3,(H,25,30)(H,26,29)(H,27,32)/t16-,18?,19?,20?/m1/s1 |
| InChIKey | TYZGLRVZJGQEAN-WCCXYEOISA-N |
| Molecular Weight | 479.574 g/mol |
| SMILES | C1=CC=CC(=C1)COC(NC(C(NC(C(=O)NC(C(=O)OC)CC(C)C)[C@](O)(C)[H])=O)C(C)C)=O |