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N-(3,4,4-trimethyl-1,2-dioxethane-3-ylmethoxycarbonyl)-L-phenylalanyl-L-leucine

View entire compound with spectra: 1 MS (GC)

N-(3,4,4-trimethyl-1,2-dioxethane-3-ylmethoxycarbonyl)-L-phenylalanyl-L-leucine
SpectraBase Compound ID 6McrGMZuyzc
InChI InChI=1S/C22H32N2O7/c1-14(2)11-17(19(26)27)23-18(25)16(12-15-9-7-6-8-10-15)24-20(28)29-13-22(5)21(3,4)30-31-22/h6-10,14,16-17H,11-13H2,1-5H3,(H,23,25)(H,24,28)(H,26,27)/t16-,17+,22-/m0/s1
InChIKey KUPUXXJTNCZHHR-JKSBSHDWSA-N
Mol Weight 436.5 g/mol
Molecular Formula C22H32N2O7
Exact Mass 436.220951 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GvKsrdy5f8i
Name N-(3,4,4-trimethyl-1,2-dioxethane-3-ylmethoxycarbonyl)-L-phenylalanyl-L-leucine
Alternate Name(s) (2R)-4-methyl-2-({(2S)-3-phenyl-2-[({[(3S)-3,4,4-trimethyl-1,2-dioxetan-3-yl]methoxy}carbonyl)amino]propanoyl}amino)pentanoic acid
CAS Registry Number 109123-78-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H32N2O7
InChI InChI=1S/C22H32N2O7/c1-14(2)11-17(19(26)27)23-18(25)16(12-15-9-7-6-8-10-15)24-20(28)29-13-22(5)21(3,4)30-31-22/h6-10,14,16-17H,11-13H2,1-5H3,(H,23,25)(H,24,28)(H,26,27)/t16-,17+,22-/m0/s1
InChIKey KUPUXXJTNCZHHR-JKSBSHDWSA-N
Molecular Weight 436.505 g/mol
SMILES N([C@](C(N[C@@](C(=O)O)(CC(C)C)[H])=O)(Cc1ccccc1)[H])C(OC[C@]1(C(C)(C)OO1)C)=O
SPLASH splash10-0f7o-9740000000-37d87f00bffa0b9dda73
Source of Spectrum K-120-1571-7
Wiley ID 1383448