Nα-({1,3,4-trihydroxy-5-[(N-methylvalyl)amino]cyclohexyl}carbonyl)phenylalaninamide

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Systematic / IUPAC Name: N-(1-Amino-1-oxo-3-phenylpropan-2-yl)-1,3,4-trihydroxy-5-[[3-methyl-2-(methylamino)butanoyl]amino]cyclohexane-1-carboxamide

ID: Reference8931

Other Names: Benzenepropanamide, α-[[[1,3,4-trihydroxy-5-[[3-methyl-2-(methylamino)-1-oxobutyl]amino]cyclohexyl]carbonyl]amino]-;
NAT2-252553

Formula: C22H34N4O6

Spectral Data

Nα-({1,3,4-trihydroxy-5-[(N-methylvalyl)amino]cyclohexyl}carbonyl)phenylalaninamide 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 2712
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 9/19/2019 10:13:15 AM
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Identificators

InChI InChI=1S/C22H34N4O6/c1-12(2)17(24-3)20(30)25-15-10-22(32,11-16(27)18(15)28)21(31)26-14(19(23)29)9-13-7-5-4-6-8-13/h4-8,12,14-18,24,27-28,32H,9-11H2,1-3H3,(H2,23,29)(H,25,30)(H,26,31)
InChI Key ULNKXYGKYNDHQS-UHFFFAOYSA-N
Canonical SMILES CC(C)C(C(=O)NC1CC(CC(C1O)O)(C(=O)NC(CC2=CC=CC=C2)C(=O)N)O)NC
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Other Names Benzenepropanamide, α-[[[1,3,4-trihydroxy-5-[[3-methyl-2-(methylamino)-1-oxobutyl]amino]cyclohexyl]carbonyl]amino]-;
NAT2-252553

In Other Databases

PubChem 3795400
ChemSpider 3022926