![2-[[2-[[3-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-valeric acid](/api/spectrum/LAdW2sDonRB/structure.png?h=300&w=458 "2-[[2-[[3-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-valeric acid")
| SpectraBase Compound ID | 5C7fRt0o2wY |
|---|---|
| InChI | InChI=1S/C28H36N4O8/c1-16(2)12-22(27(37)38)32-26(36)21(14-17-6-4-3-5-7-17)30-24(34)15-23(28(39)40)31-25(35)20(29)13-18-8-10-19(33)11-9-18/h3-11,16,20-23,33H,12-15,29H2,1-2H3,(H,30,34)(H,31,35)(H,32,36)(H,37,38)(H,39,40) |
| InChIKey | GRRNFRUCIHYGIS-UHFFFAOYSA-N |
| Mol Weight | 556.6 g/mol |
| Molecular Formula | C28H36N4O8 |
| Exact Mass | 556.253314 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LAdW2sDonRB |
|---|---|
| Name | 2-[[2-[[3-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-valeric acid |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H36N4O8 |
| InChI | InChI=1S/C28H36N4O8/c1-16(2)12-22(27(37)38)32-26(36)21(14-17-6-4-3-5-7-17)30-24(34)15-23(28(39)40)31-25(35)20(29)13-18-8-10-19(33)11-9-18/h3-11,16,20-23,33H,12-15,29H2,1-2H3,(H,30,34)(H,31,35)(H,32,36)(H,37,38)(H,39,40) |
| InChIKey | GRRNFRUCIHYGIS-UHFFFAOYSA-N |
| Literature Reference Author | ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ |
| Literature Reference Citation | UNI_MAINZ,INTERNAL_DB(2006) |
| Molecular Weight | 556.616 g/mol |
| Source File Reference | MHKO20174 |