![2-(3-[[1-(4-CARBOXYBUTANOYLAMINO)-5-AMINOPENTYL]-(HYDROXYPHOSPHORYL]-PROPANOYLAMINO)-PROPANOIC-ACID](/api/spectrum/A73iaLPMwi4/structure.png?h=300&w=458 "2-(3-[[1-(4-CARBOXYBUTANOYLAMINO)-5-AMINOPENTYL]-(HYDROXYPHOSPHORYL]-PROPANOYLAMINO)-PROPANOIC-ACID")
| SpectraBase Compound ID | 95gi11GtTw6 |
|---|---|
| InChI | InChI=1S/C16H30N3O8P/c1-11(16(24)25)18-13(21)8-10-28(26,27)14(6-2-3-9-17)19-12(20)5-4-7-15(22)23/h11,14H,2-10,17H2,1H3,(H,18,21)(H,19,20)(H,22,23)(H,24,25)(H,26,27)/t11-,14?/m1/s1 |
| InChIKey | JALILBUBQQYZIC-YNODCEANSA-N |
| Mol Weight | 423.4 g/mol |
| Molecular Formula | C16H30N3O8P |
| Exact Mass | 423.177052 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A73iaLPMwi4 |
|---|---|
| Name | 2-(3-[[1-(4-CARBOXYBUTANOYLAMINO)-5-AMINOPENTYL]-(HYDROXYPHOSPHORYL]-PROPANOYLAMINO)-PROPANOIC-ACID |
| Compound Number | 27 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C16H29N3O8P |
| InChI | InChI=1S/C16H30N3O8P/c1-11(16(24)25)18-13(21)8-10-28(26,27)14(6-2-3-9-17)19-12(20)5-4-7-15(22)23/h11,14H,2-10,17H2,1H3,(H,18,21)(H,19,20)(H,22,23)(H,24,25)(H,26,27)/t11-,14?/m1/s1 |
| InChIKey | JALILBUBQQYZIC-YNODCEANSA-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 | UWSI8121 |