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Butanoic acid, (3RS)-4-[(t-butoxycarbonyl-(S)-phenylalanyl)amino]-3-methyl-, ethyl ester
SpectraBase Compound ID 3WlaRJT1pQ5
InChI InChI=1S/C21H32N2O5/c1-6-27-18(24)12-15(2)14-22-19(25)17(13-16-10-8-7-9-11-16)23-20(26)28-21(3,4)5/h7-11,15,17H,6,12-14H2,1-5H3,(H,22,25)(H,23,26)
InChIKey CNUOZELXBQMTKK-UHFFFAOYSA-N
Mol Weight 392.5 g/mol
Molecular Formula C21H32N2O5
Exact Mass 392.231122 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D1FfLVgmFem
Name Butanoic acid, (3RS)-4-[(t-butoxycarbonyl-(S)-phenylalanyl)amino]-3-methyl-, ethyl ester
Alternate Name(s) 3-Methyl-4-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]butanoic acid ethyl ester 4-[[2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]-3-methyl-butyric acid ethyl ester Ethyl 3-methyl-4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]amino]butanoate Ethyl 4-[[2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]-3-methyl-butanoate
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Formula C21H32N2O5
InChI InChI=1S/C21H32N2O5/c1-6-27-18(24)12-15(2)14-22-19(25)17(13-16-10-8-7-9-11-16)23-20(26)28-21(3,4)5/h7-11,15,17H,6,12-14H2,1-5H3,(H,22,25)(H,23,26)
InChIKey CNUOZELXBQMTKK-UHFFFAOYSA-N
Molecular Weight 392.496 g/mol
SMILES N(C(OC(C)(C)C)=O)C(C(=O)NCC(CC(=O)OCC)C)Cc1ccccc1
SPLASH splash10-0ab9-8920000000-82970d947c62ef493c63
Wiley ID 1493218