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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
Mol Weight 496.6 g/mol
Molecular Formula C27H32N2O7
Exact Mass 496.220951 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9an8prw1EIS
Name N-Hydrxysuccinyl-L-phenylalanyl-L-alanyl [(2,4,6-Trimethylbenzoyl)oxy]methyl ketone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
Synonyms 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
Wiley ID 1575067