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(1S)-2-[[[(2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]methyl]cycloprop-2-ene-1-carboxylic acid ethyl ester

View entire compound with spectra: 1 MS (GC)

(1S)-2-[[[(2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]methyl]cycloprop-2-ene-1-carboxylic acid ethyl ester
SpectraBase Compound ID Iv35xAD4XTn
InChI InChI=1S/C21H28N2O5/c1-5-27-19(25)16-12-15(16)13-22-18(24)17(11-14-9-7-6-8-10-14)23-20(26)28-21(2,3)4/h6-10,12,16-17H,5,11,13H2,1-4H3,(H,22,24)(H,23,26)/t16-,17-/m0/s1
InChIKey GUEVXKJDKMJHNQ-IRXDYDNUSA-N
Mol Weight 388.46 g/mol
Molecular Formula C21H28N2O5
Exact Mass 388.199822 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8sZICc52Jem
Name (1S)-2-[[[(2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]methyl]cycloprop-2-ene-1-carboxylic acid ethyl ester
Alternate Name(s) (1S)-2-[[[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]methyl]-1-cycloprop-2-enecarboxylic acid ethyl ester Ethyl (1S)-2-[[[(2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]methyl]cycloprop-2-ene-1-carboxylate Ethyl (1S)-2-[[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]amino]methyl]cycloprop-2-ene-1-carboxylate
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Formula C21H28N2O5
InChI InChI=1S/C21H28N2O5/c1-5-27-19(25)16-12-15(16)13-22-18(24)17(11-14-9-7-6-8-10-14)23-20(26)28-21(2,3)4/h6-10,12,16-17H,5,11,13H2,1-4H3,(H,22,24)(H,23,26)/t16-,17-/m0/s1
InChIKey GUEVXKJDKMJHNQ-IRXDYDNUSA-N
Molecular Weight 388.464 g/mol
SMILES N(C([C@@](NC(OC(C)(C)C)=O)(Cc1ccccc1)[H])=O)CC1=C[C@@]1(C(=O)OCC)[H]
SPLASH splash10-0a4i-9145000000-73112ba303b78f6e2232
Source of Spectrum QC-9-4426-7
Wiley ID 870962