![(2R)-2-(3-[[1-(4-CARBOXY-4-PROPIONYLAMINOBUTANOYLAMINO)-5-AMINOPENTYL-(HYDROXY)-PHOSPHONYL]-PROPIONYLAMINO]-PROPIONIC-ACID](/api/spectrum/Gj5usEvoOmv/structure.png?h=300&w=458 "(2R)-2-(3-[[1-(4-CARBOXY-4-PROPIONYLAMINOBUTANOYLAMINO)-5-AMINOPENTYL-(HYDROXY)-PHOSPHONYL]-PROPIONYLAMINO]-PROPIONIC-ACID")
| SpectraBase Compound ID | 5wouF0o4u8q |
|---|---|
| InChI | InChI=1S/C19H35N4O9P/c1-3-14(24)22-13(19(29)30)7-8-15(25)23-17(6-4-5-10-20)33(31,32)11-9-16(26)21-12(2)18(27)28/h12-13,17H,3-11,20H2,1-2H3,(H,21,26)(H,22,24)(H,23,25)(H,27,28)(H,29,30)(H,31,32)/t12-,13+,17?/m1/s1 |
| InChIKey | RJRWPEQXHKTFNG-LABGONDVSA-N |
| Mol Weight | 494.5 g/mol |
| Molecular Formula | C19H35N4O9P |
| Exact Mass | 494.214166 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gj5usEvoOmv |
|---|---|
| Name | (2R)-2-(3-[[1-(4-CARBOXY-4-PROPIONYLAMINOBUTANOYLAMINO)-5-AMINOPENTYL-(HYDROXY)-PHOSPHONYL]-PROPIONYLAMINO]-PROPIONIC-ACID |
| Compound Number | 28 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C19H34N4O9P |
| InChI | InChI=1S/C19H35N4O9P/c1-3-14(24)22-13(19(29)30)7-8-15(25)23-17(6-4-5-10-20)33(31,32)11-9-16(26)21-12(2)18(27)28/h12-13,17H,3-11,20H2,1-2H3,(H,21,26)(H,22,24)(H,23,25)(H,27,28)(H,29,30)(H,31,32)/t12-,13+,17?/m1/s1 |
| InChIKey | RJRWPEQXHKTFNG-LABGONDVSA-N |
| Literature Reference Author | D.J.MILLER,S.M.HAMMOND,D.ANDERLUZZI,T.D.H.BUGG |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,131(1998) |
| Literature Reference DOI | 10.1039/a704097k |
| Solvent | D2O |
| Source File Reference | UWSI8122 |