N-Hydrxysuccinyl-L-phenylalanyl-L-alanyl [(2,4,6-Trimethylbenzoyl)oxy]methyl ketone

SpectraBase Compound ID	9ySRaXi4kZ6
InChI	InChI=1S/C27H32N2O7/c1-16-12-17(2)25(18(3)13-16)27(35)36-15-22(30)19(4)28-26(34)21(14-20-8-6-5-7-9-20)29-23(31)10-11-24(32)33/h5-9,12-13,19,21H,10-11,14-15H2,1-4H3,(H,28,34)(H,29,31)(H,32,33)/t19-,21-/m0/s1
InChIKey	KAZWBYIOIKQBOU-FPOVZHCZSA-N Google Search
Mol Weight	496.6 g/mol
Molecular Formula	C27H32N2O7
Exact Mass	496.220951 g/mol

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SpectraBase Spectrum ID	9an8prw1EIS
Name	N-Hydrxysuccinyl-L-phenylalanyl-L-alanyl [(2,4,6-Trimethylbenzoyl)oxy]methyl ketone
Alternate Name(s)	4-Oxo-4-[[(2S)-1-oxo-1-[[(2S)-3-oxo-4-[oxo-(2,4,6-trimethylphenyl)methoxy]butan-2-yl]amino]-3-phenylpropan-2-yl]amino]butanoic acid 4-Oxo-4-[[(2S)-1-oxo-1-[[(2S)-3-oxo-4-(2,4,6-trimethylbenzoyl)oxybutan-2-yl]amino]-3-phenylpropan-2-yl]amino]butanoic acid 4-[[(1S)-1-benzyl-2-[[(1S)-1-methyl-2-oxo-3-(2,4,6-trimethylbenzoyl)oxy-propyl]amino]-2-oxo-ethyl]amino]-4-oxo-butanoic acid 4-Oxidanylidene-4-[[(2S)-1-oxidanylidene-1-[[(2S)-3-oxidanylidene-4-(2,4,6-trimethylphenyl)carbonyloxy-butan-2-yl]amino]-3-phenyl-propan-2-yl]amino]butanoic acid
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Formula	C27H32N2O7
InChI	InChI=1S/C27H32N2O7/c1-16-12-17(2)25(18(3)13-16)27(35)36-15-22(30)19(4)28-26(34)21(14-20-8-6-5-7-9-20)29-23(31)10-11-24(32)33/h5-9,12-13,19,21H,10-11,14-15H2,1-4H3,(H,28,34)(H,29,31)(H,32,33)/t19-,21-/m0/s1
InChIKey	KAZWBYIOIKQBOU-FPOVZHCZSA-N
Molecular Weight	496.560 g/mol
SMILES	N(C([C@@](NC(CCC(=O)O)=O)(Cc1ccccc1)[H])=O)[C@](C(COC(c1c(cc(cc1C)C)C)=O)=O)(C)[H]
SPLASH	splash10-00dj-0910000000-2233a65f297568f5cea4
Source of Spectrum	E1-12-1838-3
Wiley ID	1575067