(2R)-4-methylsulfanyl-2-[[4-[2-(1-oxidanylcyclohexyl)ethynyl]phenyl]carbonylamino]butanoate

Systemtic Name: (2R)-4-methylsulfanyl-2-[[4-[2-(1-oxidanylcyclohexyl)ethynyl]phenyl]carbonylamino]butanoate Openeye Name: (2R)-2-[[4-[2-(1-hydroxycyclohexyl)ethynyl]benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[[4-[2-(1-hydroxycyclohexyl)ethynyl]phenyl]-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2R)-2-[[4-[2-(1-hydroxycyclohexyl)ethynyl]benzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[[4-[2-(1-hydroxycyclohexyl)ethynyl]benzoyl]amino]-4-(methylthio)butyrate Formula: C20H24NO4S- MolecularWeight: 374.47386

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NC(=O)C1=CC=C(C=C1)C#CC2(CCCCC2)O

Isomeric SMILES

CSCC[C@H](C(=O)[O-])NC(=O)C1=CC=C(C=C1)C#CC2(CCCCC2)O

InChI

InChI=1S/C20H25NO4S/c1-26-14-10-17(19(23)24)21-18(22)16-7-5-15(6-8-16)9-13-20(25)11-3-2-4-12-20/h5-8,17,25H,2-4,10-12,14H2,1H3,(H,21,22)(H,23,24)/p-1/t17-/m1/s1