| SpectraBase Compound ID | 1I0eJ3VG7rW |
|---|---|
| InChI | InChI=1S/C29H41N3O7/c1-10-37-25(34)22(30-24(33)21(15-18(2)3)31-26(35)38-28(4,5)6)16-19-17-32(27(36)39-29(7,8)9)23-14-12-11-13-20(19)23/h11-14,16-18,21H,10,15H2,1-9H3,(H,30,33)(H,31,35)/b22-16+/t21-/m0/s1 |
| InChIKey | IISFXFFANHXXMS-IFRHDIGASA-N |
| Mol Weight | 543.7 g/mol |
| Molecular Formula | C29H41N3O7 |
| Exact Mass | 543.294451 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DyBGBOi8pkf |
|---|---|
| Name | boc-leu-.Delta.trp(boc)-oet |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 543.294450665 u |
| Formula | C29H41N3O7 |
| InChI | InChI=1S/C29H41N3O7/c1-10-37-25(34)22(30-24(33)21(15-18(2)3)31-26(35)38-28(4,5)6)16-19-17-32(27(36)39-29(7,8)9)23-14-12-11-13-20(19)23/h11-14,16-18,21H,10,15H2,1-9H3,(H,30,33)(H,31,35)/b22-16+/t21-/m0/s1 |
| InChIKey | IISFXFFANHXXMS-IFRHDIGASA-N |
| Molecular Weight | 543.661 g/mol |
| SMILES | C(N1C=C(\C=C/(NC([C@@](NC(OC(C)(C)C)=O)(CC(C)C)[H])=O)C(=O)OCC)C2=C1C=CC=C2)(OC(C)(C)C)=O |