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Glutamic acid, N-[N-(1-adamantylcarbonyl)-L-methionyl]-, dimethyl ester, L-
SpectraBase Compound ID J9Jqzfd7Cwc
InChI InChI=1S/C23H36N2O6S/c1-30-19(26)5-4-18(21(28)31-2)24-20(27)17(6-7-32-3)25-22(29)23-11-14-8-15(12-23)10-16(9-14)13-23/h14-18H,4-13H2,1-3H3,(H,24,27)(H,25,29)
InChIKey JCEODPSIUCWRRM-UHFFFAOYSA-N
Mol Weight 468.6 g/mol
Molecular Formula C23H36N2O6S
Exact Mass 468.229408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D3qaI8qxfkh
Name Glutamic acid, N-[N-(1-adamantylcarbonyl)-L-methionyl]-, dimethyl ester, L-
CAS Registry Number 28417-16-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H36N2O6S
InChI InChI=1S/C23H36N2O6S/c1-30-19(26)5-4-18(21(28)31-2)24-20(27)17(6-7-32-3)25-22(29)23-11-14-8-15(12-23)10-16(9-14)13-23/h14-18H,4-13H2,1-3H3,(H,24,27)(H,25,29)
InChIKey JCEODPSIUCWRRM-UHFFFAOYSA-N
Molecular Weight 468.609 g/mol
SMILES N(C(=O)C12CC3CC(C2)CC(C1)C3)C(C(NC(CCC(OC)=O)C(OC)=O)=O)CCSC
SPLASH splash10-002u-6922000000-62121077828b5e24a9ee
Source of Spectrum O-3-799-9
Synonyms Dimethyl 2-([2-[(1-adamantylcarbonyl)amino]-4-(methylsulfanyl)butanoyl]amino)pentanedioate 2-[[2-(adamantane-1-carbonylamino)-4-(methylthio)butanoyl]amino]glutaric acid dimethyl ester 2-[[2-[[1-adamantyl(oxo)methyl]amino]-4-(methylthio)-1-oxobutyl]amino]pentanedioic acid dimethyl ester Dimethyl 2-[[2-(adamantane-1-carbonylamino)-4-methylsulfanyl-butanoyl]amino]pentanedioate Dimethyl 2-[[2-(adamantane-1-carbonylamino)-4-methylsulfanylbutanoyl]amino]pentanedioate
Wiley ID 61665