N-(5-{[1-Amino-1-oxo-3-(2-thienyl)-2-propanyl]carbamoyl}-2,3,5-trihydroxycyclohexyl)-2-methoxy-4-(methylsulfanyl)benzamide

enlarge

Systematic / IUPAC Name: N-[5-[(1-Amino-1-oxo-3-thiophen-2-ylpropan-2-yl)carbamoyl]-2,3,5-trihydroxycyclohexyl]-2-methoxy-4-methylsulfanylbenzamide

ID: Reference8933

Other Names: 2-Thiophenepropanamide, α-[[[1,3,4-trihydroxy-5-[[2-methoxy-4-(methylthio)benzoyl]amino]cyclohexyl]carbonyl]amino]-;
NAT2-252524

Formula: C23H29N3O7S2

Spectral Data

N-(5-{[1-Amino-1-oxo-3-(2-thienyl)-2-propanyl]carbamoyl}-2,3,5-trihydroxycyclohexyl)-2-methoxy-4-(methylsulfanyl)benzamide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 1
No. of Spectra 3050
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6, MS7
Ionization Methods NSI
Analyzers FT
Last Modification 9/19/2019 10:28:35 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C23H29N3O7S2/c1-33-18-9-12(34-2)5-6-14(18)21(30)25-16-10-23(32,11-17(27)19(16)28)22(31)26-15(20(24)29)8-13-4-3-7-35-13/h3-7,9,15-17,19,27-28,32H,8,10-11H2,1-2H3,(H2,24,29)(H,25,30)(H,26,31)
InChI Key ZHHUWZAIBNPYIP-UHFFFAOYSA-N
Canonical SMILES COC1=C(C=CC(=C1)SC)C(=O)NC2CC(CC(C2O)O)(C(=O)NC(CC3=CC=CS3)C(=O)N)O
CAS
Splash
Other Names 2-Thiophenepropanamide, α-[[[1,3,4-trihydroxy-5-[[2-methoxy-4-(methylthio)benzoyl]amino]cyclohexyl]carbonyl]amino]-;
NAT2-252524

In Other Databases

ChemSpider 2954932
PubChem 3724192