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3-(E)-Octen-2-one, (5S)-5-[(t-butoxycarbonyl-(R)-phenylalanyl)amino]-7-methyl-
SpectraBase Compound ID EbjkmhNQQHs
InChI InChI=1S/C23H34N2O4/c1-16(2)14-19(13-12-17(3)26)24-21(27)20(15-18-10-8-7-9-11-18)25-22(28)29-23(4,5)6/h7-13,16,19-20H,14-15H2,1-6H3,(H,24,27)(H,25,28)/b13-12+
InChIKey STIOXJALQNJJLJ-OUKQBFOZSA-N
Mol Weight 402.5 g/mol
Molecular Formula C23H34N2O4
Exact Mass 402.251858 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1lPFS6UNpQ
Name 3-(E)-Octen-2-one, (5S)-5-[(t-butoxycarbonyl-(R)-phenylalanyl)amino]-7-methyl-
Alternate Name(s) 3-(E)-Octen-2-one, (5S)-5-[(t-butoxycarbonyl-(S)-phenylalanyl)amino]-7-methyl- N-[1-benzyl-2-[[(E)-1-isobutyl-4-keto-pent-2-enyl]amino]-2-keto-ethyl]carbamic acid tert-butyl ester N-[1-[[(E)-2-methyl-7-oxooct-5-en-4-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid tert-butyl ester tert-Butyl N-[1-benzyl-2-[[(E)-1-isobutyl-4-oxo-pent-2-enyl]amino]-2-oxo-ethyl]carbamate tert-Butyl N-[1-[[(E)-2-methyl-7-oxidanylidene-oct-5-en-4-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate tert-Butyl N-[1-[[(E)-2-methyl-7-oxooct-5-en-4-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
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Formula C23H34N2O4
InChI InChI=1S/C23H34N2O4/c1-16(2)14-19(13-12-17(3)26)24-21(27)20(15-18-10-8-7-9-11-18)25-22(28)29-23(4,5)6/h7-13,16,19-20H,14-15H2,1-6H3,(H,24,27)(H,25,28)/b13-12+
InChIKey STIOXJALQNJJLJ-OUKQBFOZSA-N
Molecular Weight 402.535 g/mol
SMILES N(C(C(NC(OC(C)(C)C)=O)Cc1ccccc1)=O)C(\C=C\C(=O)C)CC(C)C
SPLASH splash10-0c00-8911000000-c7f6dfbeeac9660ab721
Wiley ID 1492246