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(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)

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
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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