| SpectraBase Compound ID | GZ097Lkr4Ji |
|---|---|
| InChI | InChI=1S/C31H34Br2F3N10O10P/c32-10-13-44(14-11-33)57(54,55-17-21-8-9-23(56-21)46(52)53)39-12-2-1-3-22(28(49)50)41-26(47)18-4-6-20(7-5-18)45(29(51)31(34,35)36)16-19-15-38-25-24(40-19)27(48)43-30(37)42-25/h4-9,15,22H,1-3,10-14,16-17H2,(H,39,54)(H,41,47)(H,49,50)(H3,37,38,42,43,48) |
| InChIKey | IYHZALKTJXXMOC-UHFFFAOYSA-N |
| Mol Weight | 954.4 g/mol |
| Molecular Formula | C31H34Br2F3N10O10P |
| Exact Mass | 952.051585 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9TBrEgBMdJG |
|---|---|
| Name | (5-NITRO-2-FURYL)-METHYL-N(EPSILON)-(N(10)-(TRIFLUOROACETYL)-PTEROYL-LYSYL)-N,N-BIS-(2-BROMOETHYL)-PHOSPHORODIAMIDATE |
| Compound Number | 6A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H34Br2F3N10O10P |
| InChI | InChI=1S/C31H34Br2F3N10O10P/c32-10-13-44(14-11-33)57(54,55-17-21-8-9-23(56-21)46(52)53)39-12-2-1-3-22(28(49)50)41-26(47)18-4-6-20(7-5-18)45(29(51)31(34,35)36)16-19-15-38-25-24(40-19)27(48)43-30(37)42-25/h4-9,15,22H,1-3,10-14,16-17H2,(H,39,54)(H,41,47)(H,49,50)(H3,37,38,42,43,48) |
| InChIKey | IYHZALKTJXXMOC-UHFFFAOYSA-N |
| Literature Reference Author | G.STEINBERG,R.F.BORCH |
| Literature Reference Citation | J.MED.CHEM.,44,69(2001) |
| Literature Reference DOI | 10.1021/jm000306g |
| Solvent | DMSO-D6 |
| Source File Reference | UWSI43926 |