| SpectraBase Compound ID | LvL1QWNm2Su |
|---|---|
| InChI | InChI=1S/C30H46N4O8/c1-19(2)16-23(25(35)32-22(27(37)40-8)14-15-31-28(38)42-30(5,6)7)33-26(36)24(17-20(3)4)34-29(39)41-18-21-12-10-9-11-13-21/h9-14,19-20,23-24H,15-18H2,1-8H3,(H,31,38)(H,32,35)(H,33,36)(H,34,39)/b22-14+/t23-,24-/m0/s1 |
| InChIKey | WCXUCBJZHYSZMW-OCVSAFOWSA-N |
| Mol Weight | 590.7 g/mol |
| Molecular Formula | C30H46N4O8 |
| Exact Mass | 590.331564 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | VPitDXzlID |
|---|---|
| Name | Methyl (Z)-2-(N-benzyloxycarbonyl-L-leucyl-L-leucyl)-4-(tert-butoxycarbonyl)amino-2-butenoate |
| Appearance | Crystalline solid |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 590.331564449 u |
| Formula | C30H46N4O8 |
| InChI | InChI=1S/C30H46N4O8/c1-19(2)16-23(25(35)32-22(27(37)40-8)14-15-31-28(38)42-30(5,6)7)33-26(36)24(17-20(3)4)34-29(39)41-18-21-12-10-9-11-13-21/h9-14,19-20,23-24H,15-18H2,1-8H3,(H,31,38)(H,32,35)(H,33,36)(H,34,39)/b22-14+/t23-,24-/m0/s1 |
| InChIKey | WCXUCBJZHYSZMW-OCVSAFOWSA-N |
| Ionization Type | EI |
| Literature Reference DOI | 10.1002/chem.201703758 |
| Molecular Weight | 590.718 g/mol |
| Optical Rotation | [a]D = -19 (c = 0.40, CHCl3) |
| Quality | 18 |
| SMILES | N(C([C@](CC(C)C)(NC(OCC1=CC=CC=C1)=O)[H])=O)[C@](C(N\C(=C\CNC(OC(C)(C)C)=O)C(=O)OC)=O)(CC(C)C)[H] |
| SPLASH | splash10-0006-9000000000-37a7fcc1054a4c6ecac0 |
| Source of Spectrum | QE-24-605-17d (DOI: 10.1002/chem.201703758) |
| Wiley ID | 1901477 |