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Cyclo(N-methyl-D-alanyl-L-leucyl-N-methyl-(Z)-dehydrophenylalanylglycyl)
SpectraBase Compound ID GUkudwfDYc5
InChI InChI=1S/C22H30N4O4/c1-14(2)11-17-22(30)26(5)18(12-16-9-7-6-8-10-16)21(29)23-13-19(27)25(4)15(3)20(28)24-17/h6-10,12,14-15,17H,11,13H2,1-5H3,(H,23,29)(H,24,28)/b18-12-
InChIKey SIIRBDOFKDACOK-PDGQHHTCSA-N
Mol Weight 414.51 g/mol
Molecular Formula C22H30N4O4
Exact Mass 414.226705 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DdZ4uW1xwXf
Name Cyclo(N-methyl-D-alanyl-L-leucyl-N-methyl-(Z)-dehydrophenylalanylglycyl)
CAS Registry Number 64070-01-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H30N4O4
InChI InChI=1S/C22H30N4O4/c1-14(2)11-17-22(30)26(5)18(12-16-9-7-6-8-10-16)21(29)23-13-19(27)25(4)15(3)20(28)24-17/h6-10,12,14-15,17H,11,13H2,1-5H3,(H,23,29)(H,24,28)/b18-12-
InChIKey SIIRBDOFKDACOK-PDGQHHTCSA-N
Molecular Weight 414.506 g/mol
SMILES N1CC(N(C(C(NC(C(N(\C(C1=O)=C\c1ccccc1)C)=O)CC(C)C)=O)C)C)=O
SPLASH splash10-0a4i-9400000000-8f08e1aab4be450b5f12
Source of Spectrum J-43-301-0
Synonyms (12Z)-12-benzylidene-3-isobutyl-1,6,7-trimethyl-1,4,7,10-tetraazacyclododecane-2,5,8,11-tetrone D-meala(1)-tentoxin
Wiley ID 1375372