Systematic / IUPAC Name: N-[3-(5,8-Bis{3-[acetyl(hydroxy)amino]propyl}-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl)propyl]-N-hydroxyacetamide
ID: Reference8056
Other Names:
Formula: C27H45N9O12
Cyclo(glycyl-N5-acetyl-N5-hydroxyornithyl-N5-acetyl-N5-hydroxyornithyl-N5-acetyl-N5-hydroxyornithylglycylglycyl) mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Used Instruments | Orbitrap Fusion Lumos with ETD LBP FAIMS |
No. of Spectral Trees | 1 |
No. of Spectra | 162 |
Tandem Spectra | MS1, MS2 |
Ionization Methods | NSI |
Analyzers | FT |
Last Modification | 6/11/2018 12:00:55 PM |
InChI | InChI=1S/C27H45N9O12/c1-16(37)34(46)10-4-7-19-25(43)30-14-23(41)28-13-22(40)29-15-24(42)31-20(8-5-11-35(47)17(2)38)26(44)33-21(27(45)32-19)9-6-12-36(48)18(3)39/h19-21,46-48H,4-15H2,1-3H3,(H,28,41)(H,29,40)(H,30,43)(H,31,42)(H,32,45)(H,33,44) |
InChI Key | ZFDAUYPBCXMSBF-UHFFFAOYSA-N |
Canonical SMILES | CC(=O)N(CCCC1C(=O)NC(C(=O)NC(C(=O)NCC(=O)NCC(=O)NCC(=O)N1)CCCN(C(=O)C)O)CCCN(C(=O)C)O)O |
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