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BOC-.delta.Ala{.beta.,.beta.-bis[2-(4-aminophenyl)ethynyl}-OMe
SpectraBase Compound ID GZjaEN6WOq0
InChI InChI=1S/C25H25N3O4/c1-25(2,3)32-24(30)28-22(23(29)31-4)19(11-5-17-7-13-20(26)14-8-17)12-6-18-9-15-21(27)16-10-18/h7-10,13-16H,26-27H2,1-4H3,(H,28,30)
InChIKey BKLUUHIUOYILJW-UHFFFAOYSA-N
Mol Weight 431.49 g/mol
Molecular Formula C25H25N3O4
Exact Mass 431.184506 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7gFetXfAAh1
Name BOC-.delta.Ala{.beta.,.beta.-bis[2-(4-aminophenyl)ethynyl}-OMe
Alternate Name(s) 5-(4-aminophenyl)-3-[2-(4-aminophenyl)ethynyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pent-2-en-4-ynoic acid methyl ester Methyl 5-(4-aminophenyl)-3-[2-(4-aminophenyl)ethynyl]-2-(tert-butoxycarbonylamino)pent-2-en-4-ynoate Methyl 5-(4-aminophenyl)-3-[2-(4-aminophenyl)ethynyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-en-4-ynoate
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Formula C25H25N3O4
InChI InChI=1S/C25H25N3O4/c1-25(2,3)32-24(30)28-22(23(29)31-4)19(11-5-17-7-13-20(26)14-8-17)12-6-18-9-15-21(27)16-10-18/h7-10,13-16H,26-27H2,1-4H3,(H,28,30)
InChIKey BKLUUHIUOYILJW-UHFFFAOYSA-N
Molecular Weight 431.492 g/mol
SMILES Nc1ccc(C#CC(=C(NC(OC(C)(C)C)=O)C(=O)OC)C#Cc2ccc(cc2)N)cc1
SPLASH splash10-001i-0089200000-92ed11e883cfeb89c494
Source of Spectrum K1-2004-3990-2
Wiley ID 1561538