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(2S)-2-[benzyl(tert-butoxycarbonyl)amino]-3-[2-(2-keto-2-methoxy-ethyl)-1H-indol-3-yl]propionic acid methyl ester
SpectraBase Compound ID DMkiX8iAj2q
InChI InChI=1S/C27H32N2O6/c1-27(2,3)35-26(32)29(17-18-11-7-6-8-12-18)23(25(31)34-5)15-20-19-13-9-10-14-21(19)28-22(20)16-24(30)33-4/h6-14,23,28H,15-17H2,1-5H3/t23-/m0/s1
InChIKey BBSJLAAEPDYVRC-QHCPKHFHSA-N
Mol Weight 480.6 g/mol
Molecular Formula C27H32N2O6
Exact Mass 480.226037 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GQFBySSUZZe
Name (2S)-2-[benzyl(tert-butoxycarbonyl)amino]-3-[2-(2-keto-2-methoxy-ethyl)-1H-indol-3-yl]propionic acid methyl 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 methyl ester Methyl (2S)-2-[benzyl(tert-butoxycarbonyl)amino]-3-[2-(2-methoxy-2-oxo-ethyl)-1H-indol-3-yl]propanoate Methyl (2S)-2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[2-(2-methoxy-2-oxoethyl)-1H-indol-3-yl]propanoate Methyl (2S)-3-[2-(2-methoxy-2-oxidanylidene-ethyl)-1H-indol-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonyl-(phenylmethyl)amino]propanoate
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Formula C27H32N2O6
InChI InChI=1S/C27H32N2O6/c1-27(2,3)35-26(32)29(17-18-11-7-6-8-12-18)23(25(31)34-5)15-20-19-13-9-10-14-21(19)28-22(20)16-24(30)33-4/h6-14,23,28H,15-17H2,1-5H3/t23-/m0/s1
InChIKey BBSJLAAEPDYVRC-QHCPKHFHSA-N
Molecular Weight 480.561 g/mol
SMILES [nH]1c2ccccc2c(c1CC(=O)OC)C[C@](N(C(OC(C)(C)C)=O)Cc1ccccc1)(C(=O)OC)[H]
SPLASH splash10-0udi-1290000000-d8a5e49496fbf37f2a9f
Source of Spectrum J-63-9430-0
Wiley ID 1395224