3-[2-(cyclohexylcarbamoylamino)ethylsulfanylmethyl]-4-oxidanylidene-4-pyridin-3-yl-butanoic acid

Systemtic Name: 3-[2-(cyclohexylcarbamoylamino)ethylsulfanylmethyl]-4-oxidanylidene-4-pyridin-3-yl-butanoic acid Openeye Name: 3-[2-(cyclohexylcarbamoylamino)ethylsulfanylmethyl]-4-oxo-4-(3-pyridyl)butanoic acid CAS Name: 3-[[2-[[(cyclohexylamino)-oxomethyl]amino]ethylthio]methyl]-4-oxo-4-(3-pyridinyl)butanoic acid IUPAC Name: 3-[2-(cyclohexylcarbamoylamino)ethylsulfanylmethyl]-4-oxo-4-pyridin-3-ylbutanoic acid Traditional Name: 3-[[2-(cyclohexylcarbamoylamino)ethylthio]methyl]-4-keto-4-(3-pyridyl)butyric acid Formula: C19H27N3O4S MolecularWeight: 393.50038

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)NCCSCC(CC(=O)O)C(=O)C2=CN=CC=C2

Isomeric SMILES

C1CCC(CC1)NC(=O)NCCSCC(CC(=O)O)C(=O)C2=CN=CC=C2

InChI

InChI=1S/C19H27N3O4S/c23-17(24)11-15(18(25)14-5-4-8-20-12-14)13-27-10-9-21-19(26)22-16-6-2-1-3-7-16/h4-5,8,12,15-16H,1-3,6-7,9-11,13H2,(H,23,24)(H2,21,22,26)