![(R/S)-1-{5'-[4"-(Benzyloxycarbonylamino)-1"(S)-(methoxycarbonyl)-n-butylamino]-5'-deoxy-2',3'-O isopropylidene-.beta.,D-allo(.alpha.,L-talo)furanurononitrile}uracil](/api/spectrum/HlSLEM8vhPk/structure.png?h=300&w=458 "(R/S)-1-{5'-[4\"-(Benzyloxycarbonylamino)-1\"(S)-(methoxycarbonyl)-n-butylamino]-5'-deoxy-2',3'-O isopropylidene-.beta.,D-allo(.alpha.,L-talo)furanurononitrile}uracil")
| SpectraBase Compound ID | KBmxxBQMz4H |
|---|---|
| InChI | InChI=1S/C27H33N5O9/c1-27(2)40-21-20(39-23(22(21)41-27)32-13-11-19(33)31-25(32)35)18(14-28)30-17(24(34)37-3)10-7-12-29-26(36)38-15-16-8-5-4-6-9-16/h4-6,8-9,11,13,17-18,20-23,30H,7,10,12,15H2,1-3H3,(H,29,36)(H,31,33,35)/t17-,18?,20-,21-,22-,23-/m0/s1 |
| InChIKey | WMZRHHYOSAIMLS-FSFUCULKSA-N |
| Mol Weight | 571.6 g/mol |
| Molecular Formula | C27H33N5O9 |
| Exact Mass | 571.227828 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HlSLEM8vhPk |
|---|---|
| Name | (R/S)-1-{5'-[4"-(Benzyloxycarbonylamino)-1"(S)-(methoxycarbonyl)-n-butylamino]-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 | C27H33N5O9 |
| InChI | InChI=1S/C27H33N5O9/c1-27(2)40-21-20(39-23(22(21)41-27)32-13-11-19(33)31-25(32)35)18(14-28)30-17(24(34)37-3)10-7-12-29-26(36)38-15-16-8-5-4-6-9-16/h4-6,8-9,11,13,17-18,20-23,30H,7,10,12,15H2,1-3H3,(H,29,36)(H,31,33,35)/t17-,18?,20-,21-,22-,23-/m0/s1 |
| InChIKey | WMZRHHYOSAIMLS-FSFUCULKSA-N |
| Molecular Weight | 571.587 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@@](CCCNC(=O)OCc1ccccc1)(C(=O)OC)[H] |
| SPLASH | splash10-00kr-0028900000-a699c54a50976568ae69 |
| Source of Spectrum | SO-0-979-16 |
| Wiley ID | 1539590 |