![(2R,3S)-3-methyl-2-[3-[[(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoyl]amino]propanoylamino]pent-4-enoic acid methyl ester](/api/spectrum/CZB4i0sHTZG/structure.png?h=300&w=458 "(2R,3S)-3-methyl-2-[3-[[(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoyl]amino]propanoylamino]pent-4-enoic acid methyl ester")
| SpectraBase Compound ID | 5dpKNVso7v7 |
|---|---|
| InChI | InChI=1S/C22H33N3O6S/c1-7-16(5)20(22(28)31-6)24-18(26)12-13-23-21(27)19(14(2)3)25-32(29,30)17-10-8-15(4)9-11-17/h7-11,14,16,19-20,25H,1,12-13H2,2-6H3,(H,23,27)(H,24,26)/t16-,19-,20+/m0/s1 |
| InChIKey | JJMPPDABBGSEII-FFZOFVMBSA-N |
| Mol Weight | 467.6 g/mol |
| Molecular Formula | C22H33N3O6S |
| Exact Mass | 467.209007 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CZB4i0sHTZG |
|---|---|
| Name | (2R,3S)-3-methyl-2-[3-[[(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoyl]amino]propanoylamino]pent-4-enoic acid methyl ester |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H33N3O6S |
| InChI | InChI=1S/C22H33N3O6S/c1-7-16(5)20(22(28)31-6)24-18(26)12-13-23-21(27)19(14(2)3)25-32(29,30)17-10-8-15(4)9-11-17/h7-11,14,16,19-20,25H,1,12-13H2,2-6H3,(H,23,27)(H,24,26)/t16-,19-,20+/m0/s1 |
| InChIKey | JJMPPDABBGSEII-FFZOFVMBSA-N |
| Literature Reference Author | U.KAZMAIER,S.MAIER |
| Literature Reference Citation | ORG.LETTERS,1,1763(1999) |
| Literature Reference DOI | 10.1021/ol9910262 |
| Molecular Weight | 467.581 g/mol |
| Sample ID | 32912 |
| Solvent | CD3OD |