![METHANESULFONOTHIOIC-ACID-(S)-[4-[(R)-2,3-BIS-[DI-(TERT.-BUTOXYCARBONYLMETHYL)-AMINO]-PROPIONYLAMINO]-PHENYL]-ESTER](/api/spectrum/6aiywHCzcgs/structure.png?h=300&w=458 "METHANESULFONOTHIOIC-ACID-(S)-[4-[(R)-2,3-BIS-[DI-(TERT.-BUTOXYCARBONYLMETHYL)-AMINO]-PROPIONYLAMINO]-PHENYL]-ESTER")
| SpectraBase Compound ID | 98b7o6VQ7Bv |
|---|---|
| InChI | InChI=1S/C18H23N3O11S2/c1-34(31,32)33-12-4-2-11(3-5-12)19-18(30)13(21(9-16(26)27)10-17(28)29)6-20(7-14(22)23)8-15(24)25/h2-5,13H,6-10H2,1H3,(H,19,30)(H,22,23)(H,24,25)(H,26,27)(H,28,29)/t13-/m1/s1 |
| InChIKey | IMAUDPJWVXQBLM-CYBMUJFWSA-N |
| Mol Weight | 521.51 g/mol |
| Molecular Formula | C18H23N3O11S2 |
| Exact Mass | 521.077401 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6aiywHCzcgs |
|---|---|
| Name | METHANESULFONOTHIOIC-ACID-(S)-[4-[(R)-2,3-BIS-[DI-(TERT.-BUTOXYCARBONYLMETHYL)-AMINO]-PROPIONYLAMINO]-PHENYL]-ESTER |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C18H23N3O11S2 |
| InChI | InChI=1S/C18H23N3O11S2/c1-34(31,32)33-12-4-2-11(3-5-12)19-18(30)13(21(9-16(26)27)10-17(28)29)6-20(7-14(22)23)8-15(24)25/h2-5,13H,6-10H2,1H3,(H,19,30)(H,22,23)(H,24,25)(H,26,27)(H,28,29)/t13-/m1/s1 |
| InChIKey | IMAUDPJWVXQBLM-CYBMUJFWSA-N |
| Literature Reference Author | P.HABERZ,F.RODRIGUEZ-CASTANEDA,J.JUNKER,S.BECKER,A.LEONOV,C. GRIESINGER |
| Literature Reference Citation | ORG.LETTERS,8,1275(2006) |
| Literature Reference DOI | 10.1021/ol053049o |
| Molecular Weight | 521.514 g/mol |
| Sample ID | 40066 |
| Solvent | CDCl3 |