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1,1-ditert-butyl 3-ethyl (2S,3R)-3-(allyloxycarbonylamino)-2-[1-(benzyl)indol-3-yl]propane-1,1,3-tricarboxylate
SpectraBase Compound ID IIUg9s1jFvv
InChI InChI=1S/C35H44N2O8/c1-9-20-43-33(41)36-29(32(40)42-10-2)27(28(30(38)44-34(3,4)5)31(39)45-35(6,7)8)25-22-37(21-23-16-12-11-13-17-23)26-19-15-14-18-24(25)26/h9,11-19,22,27-29H,1,10,20-21H2,2-8H3,(H,36,41)/t27-,29-/m1/s1
InChIKey YXHCRRXRZMCAHF-XRKRLSELSA-N
Mol Weight 620.7 g/mol
Molecular Formula C35H44N2O8
Exact Mass 620.309766 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1z0BGjEkALn
Name Ethyl t-Butyl (2S /R)-3-(1'-benzyl-3'-indolyl)-4-(t-butoxycarbonyl)-2-[(allyloxycarbonyl)amino]glutarate
Alternate Name(s) Ethyl t-Butyl (2S /R)-3-(1'-benzyl-3'-indolyl)-4-(t-butoxycarbonyl)-2-[(allyloxy carbonyl)amino]glutarate
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Formula C35H44N2O8
InChI InChI=1S/C35H44N2O8/c1-9-20-43-33(41)36-29(32(40)42-10-2)27(28(30(38)44-34(3,4)5)31(39)45-35(6,7)8)25-22-37(21-23-16-12-11-13-17-23)26-19-15-14-18-24(25)26/h9,11-19,22,27-29H,1,10,20-21H2,2-8H3,(H,36,41)/t27-,29-/m1/s1
InChIKey YXHCRRXRZMCAHF-XRKRLSELSA-N
Molecular Weight 620.743 g/mol
SMILES N([C@]([C@@](C(C(OC(C)(C)C)=O)C(OC(C)(C)C)=O)(c1c[n](Cc2ccccc2)c2c1cccc2)[H])(C(=O)OCC)[H])C(=O)OCC=C
SPLASH splash10-055f-9050300000-fb97c9afca93d6146524
Source of Spectrum SK-26-3051-27
Wiley ID 867254