N-[1-Amino-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-1,3,4-trihydroxy-5-[[3-methyl-2-(methylamino)butanoyl]amino]cyclohexane-1-carboxamide

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Systematic / IUPAC Name: O-Methyl-Nα-({1,3,4-trihydroxy-5-[(N-methylvalyl)amino]cyclohexyl}carbonyl)tyrosinamide

ID: Reference8932

Other Names: Benzenepropanamide, 4-methoxy-α-[[[1,3,4-trihydroxy-5-[[3-methyl-2-(methylamino)-1-oxobutyl]amino]cyclohexyl]carbonyl]amino]-;
NAT2-252625

Formula: C23H36N4O7

Spectral Data

N-[1-Amino-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-1,3,4-trihydroxy-5-[[3-methyl-2-(methylamino)butanoyl]amino]cyclohexane-1-carboxamide 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 2868
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 9/19/2019 10:22:17 AM
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Identificators

InChI InChI=1S/C23H36N4O7/c1-12(2)18(25-3)21(31)26-16-10-23(33,11-17(28)19(16)29)22(32)27-15(20(24)30)9-13-5-7-14(34-4)8-6-13/h5-8,12,15-19,25,28-29,33H,9-11H2,1-4H3,(H2,24,30)(H,26,31)(H,27,32)
InChI Key BWFRYGORAXFNND-UHFFFAOYSA-N
Canonical SMILES CC(C)C(C(=O)NC1CC(CC(C1O)O)(C(=O)NC(CC2=CC=C(C=C2)OC)C(=O)N)O)NC
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Other Names Benzenepropanamide, 4-methoxy-α-[[[1,3,4-trihydroxy-5-[[3-methyl-2-(methylamino)-1-oxobutyl]amino]cyclohexyl]carbonyl]amino]-;
NAT2-252625

In Other Databases

ChemSpider 3077361
PubChem 3852252