3-((E)-(((1R,2R)-2-(((1S)-1-((Dimethylamino)carbonyl)-2,2-dimethylpropyl)thioureido)cyclohexyl)imino)methyl)-5-(tert-bu

CAS

462632-54-8

Catalog Number

ACM462632548

Category

Other Products

Molecular Weight

574.82

Molecular Formula

C₃₁H₅₀N₄O₄S

MSDS COA Spec Sheet

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Specification

Synonyms

CTK4I9270, 462632-54-8, AG-F-59317, Propanoic acid, 2,2-dimethyl-,3-[(E)-[[(1R,2R)-2-[[[[(1S)-1-[(dimethylamino)carbonyl]-2,2-dimethylpropyl]amino]thioxomethyl]amino]cyclohexyl]imino]methyl]-5-(1,1-dimethylethyl)-4-hydroxyphenyl ester

IUPAC Name

[5-tert-butyl-3-[[[(1R,2R)-2-[[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]carbamothioylamino]cyclohexyl]amino]methylidene]-4-oxocyclohexa-1,5-dien-1-yl] 2,2-dimethylpropanoate

Canonical SMILES

CC(C)(C)C1=CC(=CC(=CNC2CCCCC2NC(=S)NC(C(=O)N(C)C)C(C)(C)C)C1=O)OC(=O)C(C)(C)C

InChI Key

SSFLAFJBYIMMFH-VDKIKQQVSA-N

H-Bond Acceptor

H-Bond Donor