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Cyclo(gly-phe-leu-gly-phe-leu)
SpectraBase Compound ID KSPa05UH7ph
InChI InChI=1S/C34H46N6O6/c1-20(2)15-24-30(42)29(35)34(46)40-27(18-23-13-9-6-10-14-23)33(45)39-25(16-21(3)4)31(43)36-19-28(41)37-26(32(44)38-24)17-22-11-7-5-8-12-22/h5-14,20-21,24-27,29H,15-19,35H2,1-4H3,(H,36,43)(H,37,41)(H,38,44)(H,39,45)(H,40,46)/t24-,25-,26-,27-,29?/m0/s1
InChIKey VLCSXYYBILBVQH-OVHJYXTNSA-N
Mol Weight 634.8 g/mol
Molecular Formula C34H46N6O6
Exact Mass 634.347883 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID i9q56Lplw
Name Cyclo(gly-phe-leu-gly-phe-leu)
Alternate Name(s) (3S,9S,12S,17S)-15-amino-3,12-dibenzyl-9,17-diisobutyl-1,4,7,10,13-pentaazacycloheptadecane-2,5,8,11,14,16-hexone
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Formula C34H46N6O6
InChI InChI=1S/C34H46N6O6/c1-20(2)15-24-30(42)29(35)34(46)40-27(18-23-13-9-6-10-14-23)33(45)39-25(16-21(3)4)31(43)36-19-28(41)37-26(32(44)38-24)17-22-11-7-5-8-12-22/h5-14,20-21,24-27,29H,15-19,35H2,1-4H3,(H,36,43)(H,37,41)(H,38,44)(H,39,45)(H,40,46)/t24-,25-,26-,27-,29?/m0/s1
InChIKey VLCSXYYBILBVQH-OVHJYXTNSA-N
Molecular Weight 634.778 g/mol
SMILES N1C([C@@](NC(=O)CNC([C@@](NC([C@@](NC(C(C([C@@]1(CC(C)C)[H])=O)N)=O)(Cc1ccccc1)[H])=O)(CC(C)C)[H])=O)(Cc1ccccc1)[H])=O
SPLASH splash10-00ri-6906526000-9da7376d6551ce9ca57c
Source of Spectrum AT-65-3046-1
Wiley ID 1412289