| SpectraBase Compound ID | 4mQITOvkgdq |
|---|---|
| InChI | InChI=1S/C28H42N4O7/c1-18(2)14-21(25(34)31-22(15-19(3)4)27(36)38-5)30-26(35)23-12-9-13-32(23)24(33)16-29-28(37)39-17-20-10-7-6-8-11-20/h6-8,10-11,18-19,21-23H,9,12-17H2,1-5H3,(H,29,37)(H,30,35)(H,31,34)/t21-,22-,23-/m0/s1 |
| InChIKey | LQEQHFWKZUQGAS-VABKMULXSA-N |
| Mol Weight | 546.7 g/mol |
| Molecular Formula | C28H42N4O7 |
| Exact Mass | 546.30535 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HxbMb5w4Lym |
|---|---|
| Name | Methyl-N-(benzyloxycarbonyl)-glycylprolylleucylleucine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 546.305349701 u |
| Formula | C28H42N4O7 |
| InChI | InChI=1S/C28H42N4O7/c1-18(2)14-21(25(34)31-22(15-19(3)4)27(36)38-5)30-26(35)23-12-9-13-32(23)24(33)16-29-28(37)39-17-20-10-7-6-8-11-20/h6-8,10-11,18-19,21-23H,9,12-17H2,1-5H3,(H,29,37)(H,30,35)(H,31,34)/t21-,22-,23-/m0/s1 |
| InChIKey | LQEQHFWKZUQGAS-VABKMULXSA-N |
| Molecular Weight | 546.665 g/mol |
| SMILES | [C@]1(N(CCC1)C(CNC(=O)OCC=1C=CC=CC1)=O)(C(N[C@](C(N[C@](C(=O)OC)(CC(C)C)[H])=O)(CC(C)C)[H])=O)[H] |