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1-O-Acetyl-2,3,4,6-tetradeoxy-2-(2,4-dinitrophenylamino)-6-{methyl-[(1R)-phenylethyl]amino}-D-erythro-hexopyranose
SpectraBase Compound ID Bycvcqt5GRZ
InChI InChI=1S/C23H28N4O7/c1-15(17-7-5-4-6-8-17)25(3)14-19-10-12-21(23(34-19)33-16(2)28)24-20-11-9-18(26(29)30)13-22(20)27(31)32/h4-9,11,13,15,19,21,23-24H,10,12,14H2,1-3H3/t15-,19+,21-,23?/m1/s1
InChIKey URPKTECYUJXIEQ-IPRQJVSPSA-N
Mol Weight 472.5 g/mol
Molecular Formula C23H28N4O7
Exact Mass 472.195799 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Pti4AbRCpA
Name 1-O-Acetyl-2,3,4,6-tetradeoxy-2-(2,4-dinitrophenylamino)-6-{methyl-[(1R)-phenylethyl]amino}-D-erythro-hexopyranose
Comments Less than 3 mono-isotopic peaks
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Formula C23H28N4O7
InChI InChI=1S/C23H28N4O7/c1-15(17-7-5-4-6-8-17)25(3)14-19-10-12-21(23(34-19)33-16(2)28)24-20-11-9-18(26(29)30)13-22(20)27(31)32/h4-9,11,13,15,19,21,23-24H,10,12,14H2,1-3H3/t15-,19+,21-,23?/m1/s1
InChIKey URPKTECYUJXIEQ-IPRQJVSPSA-N
Molecular Weight 472.498 g/mol
SMILES N(c1c(N(=O)=O)cc(N(=O)=O)cc1)[C@]1(C(O[C@](CN([C@@](c2ccccc2)(C)[H])C)(CC1)[H])OC(=O)C)[H]
SPLASH splash10-00di-0001900000-7bfc4aea69d49e341d49
Source of Spectrum KC-0-2697-13
Synonyms 1-O-acetyl-2,3,4,6-tetradeoxy-2-(2,4-dinitroanilino)-6-{methyl[(1R)-1-phenylethyl]amino}-D-erythro-hexopyranose
Wiley ID 782286