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Methyl (S)-N-Benzyloxycarbonyl-O-[1-(phenylsulfonyl)-4-indolyl]serinatel
SpectraBase Compound ID KYbGAsl8DPl
InChI InChI=1S/C26H24N2O7S/c1-33-25(29)22(27-26(30)35-17-19-9-4-2-5-10-19)18-34-24-14-8-13-23-21(24)15-16-28(23)36(31,32)20-11-6-3-7-12-20/h2-16,22H,17-18H2,1H3,(H,27,30)/t22-/m0/s1
InChIKey NJDGMZUMBUCFSN-QFIPXVFZSA-N
Mol Weight 508.55 g/mol
Molecular Formula C26H24N2O7S
Exact Mass 508.130422 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7ButwQdo79e
Name Methyl (S)-N-Benzyloxycarbonyl-O-[1-(phenylsulfonyl)-4-indolyl]serinatel
Alternate Name(s) (2S)-3-[[1-(benzenesulfonyl)-4-indolyl]oxy]-2-(phenylmethoxycarbonylamino)propanoic acid methyl ester Methyl (2S)-3-[1-(benzenesulfonyl)indol-4-yl]oxy-2-(phenylmethoxycarbonylamino)propanoate Methyl (2S)-3-[1-(benzenesulfonyl)indol-4-yl]oxy-2-(benzyloxycarbonylamino)propanoate Methyl (2S)-2-(phenylmethoxycarbonylamino)-3-[1-(phenylsulfonyl)indol-4-yl]oxy-propanoate
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Formula C26H24N2O7S
InChI InChI=1S/C26H24N2O7S/c1-33-25(29)22(27-26(30)35-17-19-9-4-2-5-10-19)18-34-24-14-8-13-23-21(24)15-16-28(23)36(31,32)20-11-6-3-7-12-20/h2-16,22H,17-18H2,1H3,(H,27,30)/t22-/m0/s1
InChIKey NJDGMZUMBUCFSN-QFIPXVFZSA-N
Molecular Weight 508.545 g/mol
SMILES N(C(=O)OCc1ccccc1)[C@@](COc1c2c([n](S(=O)(=O)c3ccccc3)cc2)ccc1)(C(=O)OC)[H]
SPLASH splash10-0f9x-9200100000-73ac7436f72ccc074905
Source of Spectrum E1-40-2348-17
Wiley ID 1519663