![(2S,3R)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-[oxo-(phenylmethoxyamino)methyl]-5-hexenoic acid tert-butyl ester](/api/spectrum/3k43ORgv0J3/structure.png?h=300&w=458 "(2S,3R)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-[oxo-(phenylmethoxyamino)methyl]-5-hexenoic acid tert-butyl ester")
| SpectraBase Compound ID | 4U3054o4WI8 |
|---|---|
| InChI | InChI=1S/C23H34N2O6/c1-8-12-17(19(26)25-29-15-16-13-10-9-11-14-16)18(20(27)30-22(2,3)4)24-21(28)31-23(5,6)7/h8-11,13-14,17-18H,1,12,15H2,2-7H3,(H,24,28)(H,25,26)/t17-,18+/m1/s1 |
| InChIKey | XYXSKBBGRCHKLF-MSOLQXFVSA-N |
| Mol Weight | 434.5 g/mol |
| Molecular Formula | C23H34N2O6 |
| Exact Mass | 434.241687 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3k43ORgv0J3 |
|---|---|
| Name | (2S,3R)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-[oxo-(phenylmethoxyamino)methyl]-5-hexenoic acid tert-butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 434.241686817 u |
| Formula | C23H34N2O6 |
| InChI | InChI=1S/C23H34N2O6/c1-8-12-17(19(26)25-29-15-16-13-10-9-11-14-16)18(20(27)30-22(2,3)4)24-21(28)31-23(5,6)7/h8-11,13-14,17-18H,1,12,15H2,2-7H3,(H,24,28)(H,25,26)/t17-,18+/m1/s1 |
| InChIKey | XYXSKBBGRCHKLF-MSOLQXFVSA-N |
| Molecular Weight | 434.533 g/mol |
| SMILES | [C@](C(OC(C)(C)C)=O)([C@](C(=O)NOCC=1C=CC=CC1)(CC=C)[H])(NC(OC(C)(C)C)=O)[H] |