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3-(E)-Hexen-2-one, (5S)-5-[(t-butoxycarbonyl-(R)-phenylalanyl)amino]-
SpectraBase Compound ID ACwG8FBnKnF
InChI InChI=1S/C20H28N2O4/c1-14(11-12-15(2)23)21-18(24)17(13-16-9-7-6-8-10-16)22-19(25)26-20(3,4)5/h6-12,14,17H,13H2,1-5H3,(H,21,24)(H,22,25)/b12-11+
InChIKey WBGOFINMAGHDBP-VAWYXSNFSA-N
Mol Weight 360.45 g/mol
Molecular Formula C20H28N2O4
Exact Mass 360.204907 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K311wrGeryo
Name 3-(E)-Hexen-2-one, (5S)-5-[(t-butoxycarbonyl-(R)-phenylalanyl)amino]-
Alternate Name(s) 3-(E)-Hexen-2-one, (5S)-5-[(t-butoxycarbonyl-(S)-phenylalanyl)amino]- N-[1-benzyl-2-keto-2-[[(E)-4-keto-1-methyl-pent-2-enyl]amino]ethyl]carbamic acid tert-butyl ester N-[1-oxo-1-[[(E)-5-oxohex-3-en-2-yl]amino]-3-phenylpropan-2-yl]carbamic acid tert-butyl ester tert-Butyl N-[1-benzyl-2-[[(E)-1-methyl-4-oxo-pent-2-enyl]amino]-2-oxo-ethyl]carbamate tert-Butyl N-[1-oxidanylidene-1-[[(E)-5-oxidanylidenehex-3-en-2-yl]amino]-3-phenyl-propan-2-yl]carbamate tert-Butyl N-[1-oxo-1-[[(E)-5-oxohex-3-en-2-yl]amino]-3-phenylpropan-2-yl]carbamate
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Formula C20H28N2O4
InChI InChI=1S/C20H28N2O4/c1-14(11-12-15(2)23)21-18(24)17(13-16-9-7-6-8-10-16)22-19(25)26-20(3,4)5/h6-12,14,17H,13H2,1-5H3,(H,21,24)(H,22,25)/b12-11+
InChIKey WBGOFINMAGHDBP-VAWYXSNFSA-N
Molecular Weight 360.454 g/mol
SMILES N(C(OC(C)(C)C)=O)C(C(=O)NC(\C=C\C(=O)C)C)Cc1ccccc1
SPLASH splash10-0ab9-9611000000-31cddb10d518c4919ece
Wiley ID 1491501