![2-[[2-[[2-[[2-(alanylamino)-4-amino-4-keto-butanoyl]amino]acetyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-valeric acid](/api/spectrum/8AKc3T1pCif/structure.png?h=300&w=458 "2-[[2-[[2-[[2-(alanylamino)-4-amino-4-keto-butanoyl]amino]acetyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-valeric acid")
| SpectraBase Compound ID | 3TBEdlyPsoX |
|---|---|
| InChI | InChI=1S/C21H38N6O7/c1-6-10(3)16(20(32)27-17(21(33)34)11(4)7-2)26-15(29)9-24-19(31)13(8-14(23)28)25-18(30)12(5)22/h10-13,16-17H,6-9,22H2,1-5H3,(H2,23,28)(H,24,31)(H,25,30)(H,26,29)(H,27,32)(H,33,34) |
| InChIKey | RLJJFHIWDAUKEN-UHFFFAOYSA-N |
| Mol Weight | 486.6 g/mol |
| Molecular Formula | C21H38N6O7 |
| Exact Mass | 486.280198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8AKc3T1pCif |
|---|---|
| Name | 2-[[2-[[2-[[2-(alanylamino)-4-amino-4-keto-butanoyl]amino]acetyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-valeric acid |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H38N6O7 |
| InChI | InChI=1S/C21H38N6O7/c1-6-10(3)16(20(32)27-17(21(33)34)11(4)7-2)26-15(29)9-24-19(31)13(8-14(23)28)25-18(30)12(5)22/h10-13,16-17H,6-9,22H2,1-5H3,(H2,23,28)(H,24,31)(H,25,30)(H,26,29)(H,27,32)(H,33,34) |
| InChIKey | RLJJFHIWDAUKEN-UHFFFAOYSA-N |
| Literature Reference Author | ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ |
| Literature Reference Citation | UNI_MAINZ,INTERNAL_DB(2006) |
| Molecular Weight | 486.569 g/mol |
| Source File Reference | MHKO20345 |