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

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Systematic / IUPAC Name: N-(1-Amino-1-oxo-3-thiophen-2-ylpropan-2-yl)-1,3,4-trihydroxy-5-[(4-methylphenyl)carbamoylamino]cyclohexane-1-carboxamide

ID: Reference8934

Other Names: 2-Thiophenepropanamide, α-[[[1,3,4-trihydroxy-5-[[[(4-methylphenyl)amino]carbonyl]amino]cyclohexyl]carbonyl]amino]-;
NAT2-252538

Formula: C22H28N4O6S

Spectral Data

N-[1-Amino-1-oxo-3-(2-thienyl)-2-propanyl]-1,3,4-trihydroxy-5-{[(4-methylphenyl)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 3604
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6, MS7
Ionization Methods NSI
Analyzers FT
Last Modification 9/19/2019 11:35:28 AM
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Identificators

InChI InChI=1S/C22H28N4O6S/c1-12-4-6-13(7-5-12)24-21(31)26-16-10-22(32,11-17(27)18(16)28)20(30)25-15(19(23)29)9-14-3-2-8-33-14/h2-8,15-18,27-28,32H,9-11H2,1H3,(H2,23,29)(H,25,30)(H2,24,26,31)
InChI Key CZZUCOPMJHWCHP-UHFFFAOYSA-N
Canonical SMILES CC1=CC=C(C=C1)NC(=O)NC2CC(CC(C2O)O)(C(=O)NC(CC3=CC=CS3)C(=O)N)O
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Other Names 2-Thiophenepropanamide, α-[[[1,3,4-trihydroxy-5-[[[(4-methylphenyl)amino]carbonyl]amino]cyclohexyl]carbonyl]amino]-;
NAT2-252538

In Other Databases

ChemSpider 2916464
PubChem 3684015