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2-Heptynoic acid, 4-[(t-butoxycarbonylphenylalanyl)amino]-6-methyl-, methyl ester
SpectraBase Compound ID KIyWKamYIHK
InChI InChI=1S/C23H32N2O5/c1-16(2)14-18(12-13-20(26)29-6)24-21(27)19(15-17-10-8-7-9-11-17)25-22(28)30-23(3,4)5/h7-11,16,18-19H,14-15H2,1-6H3,(H,24,27)(H,25,28)
InChIKey QCPLVZUZZSDLDH-UHFFFAOYSA-N
Mol Weight 416.5 g/mol
Molecular Formula C23H32N2O5
Exact Mass 416.231122 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3mBZZnagXE2
Name 2-Heptynoic acid, 4-[(t-butoxycarbonylphenylalanyl)amino]-6-methyl-, methyl ester
Alternate Name(s) 4-[[2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]-6-methyl-hept-2-ynoic acid methyl ester 6-Methyl-4-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]-2-heptynoic acid methyl ester Methyl 4-((2-[(tert-butoxycarbonyl)amino]-3-phenylpropanoyl)amino)-6-methyl-2-heptynoate Methyl 4-[[2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]-6-methyl-hept-2-ynoate Methyl 6-methyl-4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]amino]hept-2-ynoate
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Formula C23H32N2O5
InChI InChI=1S/C23H32N2O5/c1-16(2)14-18(12-13-20(26)29-6)24-21(27)19(15-17-10-8-7-9-11-17)25-22(28)30-23(3,4)5/h7-11,16,18-19H,14-15H2,1-6H3,(H,24,27)(H,25,28)
InChIKey QCPLVZUZZSDLDH-UHFFFAOYSA-N
Molecular Weight 416.518 g/mol
SMILES N(C(C(NC(OC(C)(C)C)=O)Cc1ccccc1)=O)C(C#CC(=O)OC)CC(C)C
SPLASH splash10-0ab9-9821000000-f0a0f26e3636dbf6f6af
Wiley ID 1492468