![(R/S)-1-{5'-[5"-(Benzyloxycarbonylamino)-5"-(methoxycarbonyl)pentylamino]-5'-deoxy-2',3'-O isopropylidene-.beta.,D-allo(.alpha.,L-talo)furanurononitrile}uracil](/api/spectrum/DLDHC4dTNEl/structure.png?h=300&w=458 "(R/S)-1-{5'-[5\"-(Benzyloxycarbonylamino)-5\"-(methoxycarbonyl)pentylamino]-5'-deoxy-2',3'-O isopropylidene-.beta.,D-allo(.alpha.,L-talo)furanurononitrile}uracil")
| SpectraBase Compound ID | HtSafciIqsC |
|---|---|
| InChI | InChI=1S/C28H35N5O9/c1-28(2)41-22-21(40-24(23(22)42-28)33-14-12-20(34)32-26(33)36)19(15-29)30-13-8-7-11-18(25(35)38-3)31-27(37)39-16-17-9-5-4-6-10-17/h4-6,9-10,12,14,18-19,21-24,30H,7-8,11,13,16H2,1-3H3,(H,31,37)(H,32,34,36)/t18?,19?,21-,22-,23-,24-/m0/s1 |
| InChIKey | WTWYCWQIXARJGX-YIQAIBCRSA-N |
| Mol Weight | 585.6 g/mol |
| Molecular Formula | C28H35N5O9 |
| Exact Mass | 585.243478 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DLDHC4dTNEl |
|---|---|
| Name | (R/S)-1-{5'-[5"-(Benzyloxycarbonylamino)-5"-(methoxycarbonyl)pentylamino]-5'-deoxy-2',3'-O isopropylidene-.beta.,D-allo(.alpha.,L-talo)furanurononitrile}uracil |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H35N5O9 |
| InChI | InChI=1S/C28H35N5O9/c1-28(2)41-22-21(40-24(23(22)42-28)33-14-12-20(34)32-26(33)36)19(15-29)30-13-8-7-11-18(25(35)38-3)31-27(37)39-16-17-9-5-4-6-10-17/h4-6,9-10,12,14,18-19,21-24,30H,7-8,11,13,16H2,1-3H3,(H,31,37)(H,32,34,36)/t18?,19?,21-,22-,23-,24-/m0/s1 |
| InChIKey | WTWYCWQIXARJGX-YIQAIBCRSA-N |
| Molecular Weight | 585.614 g/mol |
| SMILES | N(C([C@]1([C@]2([C@@]([C@@](N3C(NC(C=C3)=O)=O)(O1)[H])(OC(O2)(C)C)[H])[H])[H])C#N)CCCCC(NC(=O)OCc1ccccc1)C(=O)OC |
| SPLASH | splash10-0gb9-0039500000-9f12e9cc5f6612a4f236 |
| Source of Spectrum | SO-0-979-15 |
| Wiley ID | 1539591 |