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Cyclo(gly-ala-phe)2

View entire compound with spectra: 1 MS (GC)

Cyclo(gly-ala-phe)2
SpectraBase Compound ID HP4ibnWlKZZ
InChI InChI=1S/C28H34N6O6/c1-17-25(37)33-21(13-19-9-5-3-6-10-19)27(39)30-16-24(36)32-18(2)26(38)34-22(14-20-11-7-4-8-12-20)28(40)29-15-23(35)31-17/h3-12,17-18,21-22H,13-16H2,1-2H3,(H,29,40)(H,30,39)(H,31,35)(H,32,36)(H,33,37)(H,34,38)
InChIKey QQSHZZMNVWTWNT-UHFFFAOYSA-N
Mol Weight 550.6 g/mol
Molecular Formula C28H34N6O6
Exact Mass 550.253983 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LDo9ni9DyxL
Name Cyclo(gly-ala-phe)2
Alternate Name(s) 3,12-dibenzyl-6,15-dimethyl-1,4,7,10,13,16-hexaazacyclooctadecane-2,5,8,11,14,17-hexone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H34N6O6
InChI InChI=1S/C28H34N6O6/c1-17-25(37)33-21(13-19-9-5-3-6-10-19)27(39)30-16-24(36)32-18(2)26(38)34-22(14-20-11-7-4-8-12-20)28(40)29-15-23(35)31-17/h3-12,17-18,21-22H,13-16H2,1-2H3,(H,29,40)(H,30,39)(H,31,35)(H,32,36)(H,33,37)(H,34,38)
InChIKey QQSHZZMNVWTWNT-UHFFFAOYSA-N
Molecular Weight 550.616 g/mol
SMILES N1C(C(NCC(NC(C(NC(C(NCC(NC(C1=O)C)=O)=O)Cc1ccccc1)=O)C)=O)=O)Cc1ccccc1
SPLASH splash10-0h4o-9514330000-4c4be2e7fec7dfc5146f
Source of Spectrum U-669-191-2
Wiley ID 1405680