![(R/S)-1-{5'-[5"-(Benzyloxycarbonylamino)-1"-(S)-(methoxycarbonyl)pentylamino]-5'-deoxy-2',3'-O isopropylidene-.beta.,D-allo(.alpha.,L-talo)furanurononitrile}uracil](/api/spectrum/1x694lGTvmt/structure.png?h=300&w=458 "(R/S)-1-{5'-[5\"-(Benzyloxycarbonylamino)-1\"-(S)-(methoxycarbonyl)pentylamino]-5'-deoxy-2',3'-O isopropylidene-.beta.,D-allo(.alpha.,L-talo)furanurononitrile}uracil")
| SpectraBase Compound ID | DF2OAizIZKt |
|---|---|
| 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)31-18(25(35)38-3)11-7-8-13-30-27(37)39-16-17-9-5-4-6-10-17/h4-6,9-10,12,14,18-19,21-24,31H,7-8,11,13,16H2,1-3H3,(H,30,37)(H,32,34,36)/t18-,19?,21-,22-,23-,24-/m0/s1 |
| InChIKey | VZJLSJCJHCYGKY-PGXHKVGWSA-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 | 1x694lGTvmt |
|---|---|
| Name | (R/S)-1-{5'-[5"-(Benzyloxycarbonylamino)-1"-(S)-(methoxycarbonyl)pentylamino]-5'-deoxy-2',3'-O isopropylidene-.beta.,D-allo(.alpha.,L-talo)furanurononitrile}uracil |
| Copyright | Copyright © 2020-2024 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)31-18(25(35)38-3)11-7-8-13-30-27(37)39-16-17-9-5-4-6-10-17/h4-6,9-10,12,14,18-19,21-24,31H,7-8,11,13,16H2,1-3H3,(H,30,37)(H,32,34,36)/t18-,19?,21-,22-,23-,24-/m0/s1 |
| InChIKey | VZJLSJCJHCYGKY-PGXHKVGWSA-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)[C@@](CCCCNC(=O)OCc1ccccc1)(C(=O)OC)[H] |
| SPLASH | splash10-0uxs-0097700000-bf8de4fbcd5429f267dc |
| Source of Spectrum | SO-0-979-14 |
| Wiley ID | 1539592 |