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(2S)-2-[benzyl(tert-butoxycarbonyl)amino]-3-[2-(2-keto-2-methoxy-ethyl)-1H-indol-3-yl]propionic acid benzyl ester
SpectraBase Compound ID Efpy1jomuTk
InChI InChI=1S/C33H36N2O6/c1-33(2,3)41-32(38)35(21-23-13-7-5-8-14-23)29(31(37)40-22-24-15-9-6-10-16-24)19-26-25-17-11-12-18-27(25)34-28(26)20-30(36)39-4/h5-18,29,34H,19-22H2,1-4H3/t29-/m0/s1
InChIKey WKUFXOXJBAKMLG-LJAQVGFWSA-N
Mol Weight 556.7 g/mol
Molecular Formula C33H36N2O6
Exact Mass 556.257337 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EAoFxgxSseV
Name (2S)-2-[benzyl(tert-butoxycarbonyl)amino]-3-[2-(2-keto-2-methoxy-ethyl)-1H-indol-3-yl]propionic acid benzyl ester
Alternate Name(s) (2S)-3-[2-(2-methoxy-2-oxoethyl)-1H-indol-3-yl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]-(phenylmethyl)amino]propanoic acid (phenylmethyl) ester (phenylmethyl) (2S)-3-[2-(2-methoxy-2-oxidanylidene-ethyl)-1H-indol-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonyl-(phenylmethyl)amino]propanoate benzyl (2S)-2-[benzyl(tert-butoxycarbonyl)amino]-3-[2-(2-methoxy-2-oxo-ethyl)-1H-indol-3-yl]propanoate benzyl (2S)-2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[2-(2-methoxy-2-oxoethyl)-1H-indol-3-yl]propanoate
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Formula C33H36N2O6
InChI InChI=1S/C33H36N2O6/c1-33(2,3)41-32(38)35(21-23-13-7-5-8-14-23)29(31(37)40-22-24-15-9-6-10-16-24)19-26-25-17-11-12-18-27(25)34-28(26)20-30(36)39-4/h5-18,29,34H,19-22H2,1-4H3/t29-/m0/s1
InChIKey WKUFXOXJBAKMLG-LJAQVGFWSA-N
Molecular Weight 556.659 g/mol
SMILES [nH]1c2ccccc2c(c1CC(=O)OC)C[C@](N(C(OC(C)(C)C)=O)Cc1ccccc1)(C(OCc1ccccc1)=O)[H]
SPLASH splash10-0udi-0290000000-ffcd6b8f308811b37a40
Source of Spectrum J-62-7958-18
Wiley ID 1406411