N-(1-Amino-1-oxo-2-propanyl)-1,3,4-trihydroxy-5-({[4-(trifluoromethoxy)phenyl]carbamoyl}amino)cyclohexanecarboxamide

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Systematic / IUPAC Name: N-(1-Amino-1-oxopropan-2-yl)-1,3,4-trihydroxy-5-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxamide

ID: Reference8915

Other Names: Cyclohexanecarboxamide, N-(2-amino-1-methyl-2-oxoethyl)-1,3,4-trihydroxy-5-[[[[4-(trifluoromethoxy)phenyl]amino]carbonyl]amino]-;
NAT2-252470

Formula: C18H23F3N4O7

Spectral Data

N-(1-Amino-1-oxo-2-propanyl)-1,3,4-trihydroxy-5-({[4-(trifluoromethoxy)phenyl]carbamoyl}amino)cyclohexanecarboxamide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 1
No. of Spectra 2137
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 9/18/2019 12:41:14 PM
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Identificators

InChI InChI=1S/C18H23F3N4O7/c1-8(14(22)28)23-15(29)17(31)6-11(13(27)12(26)7-17)25-16(30)24-9-2-4-10(5-3-9)32-18(19,20)21/h2-5,8,11-13,26-27,31H,6-7H2,1H3,(H2,22,28)(H,23,29)(H2,24,25,30)
InChI Key NQFCUYXMAGBAEK-UHFFFAOYSA-N
Canonical SMILES CC(C(=O)N)NC(=O)C1(CC(C(C(C1)O)O)NC(=O)NC2=CC=C(C=C2)OC(F)(F)F)O
CAS
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Other Names Cyclohexanecarboxamide, N-(2-amino-1-methyl-2-oxoethyl)-1,3,4-trihydroxy-5-[[[[4-(trifluoromethoxy)phenyl]amino]carbonyl]amino]-;
NAT2-252470

In Other Databases

ChemSpider 3029335
PubChem 3802078