![#13;((S)-2-[(S)-2-[(S)-2-((S)-2-TERT.-BUTOXYCARBONYLAMINO-3-PHENYL-PROPIONYLAMINO)-PROPIONYLAMINO]-3-METHYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC-ACID-METHYLESTER](/api/spectrum/LIscyjjQ21B/structure.png?h=300&w=458 "#13;((S)-2-[(S)-2-[(S)-2-((S)-2-TERT.-BUTOXYCARBONYLAMINO-3-PHENYL-PROPIONYLAMINO)-PROPIONYLAMINO]-3-METHYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC-ACID-METHYLESTER")
| SpectraBase Compound ID | ERL3rrPeRrq |
|---|---|
| InChI | InChI=1S/C29H46N4O7/c1-17(2)15-22(27(37)39-9)31-26(36)23(18(3)4)33-24(34)19(5)30-25(35)21(16-20-13-11-10-12-14-20)32-28(38)40-29(6,7)8/h10-14,17-19,21-23H,15-16H2,1-9H3,(H,30,35)(H,31,36)(H,32,38)(H,33,34)/t19-,21+,22-,23-/m1/s1 |
| InChIKey | DFQSJTVEWKPIFE-CWKRKGSWSA-N |
| Mol Weight | 562.7 g/mol |
| Molecular Formula | C29H46N4O7 |
| Exact Mass | 562.33665 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LIscyjjQ21B |
|---|---|
| Name | #13;((S)-2-[(S)-2-[(S)-2-((S)-2-TERT.-BUTOXYCARBONYLAMINO-3-PHENYL-PROPIONYLAMINO)-PROPIONYLAMINO]-3-METHYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC-ACID-METHYLESTER |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H46N4O7 |
| InChI | InChI=1S/C29H46N4O7/c1-17(2)15-22(27(37)39-9)31-26(36)23(18(3)4)33-24(34)19(5)30-25(35)21(16-20-13-11-10-12-14-20)32-28(38)40-29(6,7)8/h10-14,17-19,21-23H,15-16H2,1-9H3,(H,30,35)(H,31,36)(H,32,38)(H,33,34)/t19-,21+,22-,23-/m1/s1 |
| InChIKey | DFQSJTVEWKPIFE-CWKRKGSWSA-N |
| Literature Reference Author | C.BONAUER,M.ZABEL,B.KOENIG |
| Literature Reference Citation | ORG.LETTERS,6,1349(2004) |
| Literature Reference DOI | 10.1021/ol049855x |
| Molecular Weight | 562.707 g/mol |
| Sample ID | 50908 |
| Solvent | DMSO |