methyl 3-[2-(3-acetamidopropanoylamino)ethylsulfanylmethyl]-4-oxidanylidene-4-pyridin-3-yl-butanoate

Systemtic Name: methyl 3-[2-(3-acetamidopropanoylamino)ethylsulfanylmethyl]-4-oxidanylidene-4-pyridin-3-yl-butanoate Openeye Name: methyl 3-[2-(3-acetamidopropanoylamino)ethylsulfanylmethyl]-4-oxo-4-(3-pyridyl)butanoate CAS Name: 3-[[2-[(3-acetamido-1-oxopropyl)amino]ethylthio]methyl]-4-oxo-4-(3-pyridinyl)butanoic acid methyl ester IUPAC Name: methyl 3-[2-(3-acetamidopropanoylamino)ethylsulfanylmethyl]-4-oxo-4-pyridin-3-ylbutanoate Traditional Name: 3-[[2-(3-acetamidopropanoylamino)ethylthio]methyl]-4-keto-4-(3-pyridyl)butyric acid methyl ester Formula: C18H25N3O5S MolecularWeight: 395.4732

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC(=O)NCCSCC(CC(=O)OC)C(=O)C1=CN=CC=C1

Isomeric SMILES

CC(=O)NCCC(=O)NCCSCC(CC(=O)OC)C(=O)C1=CN=CC=C1

InChI

InChI=1S/C18H25N3O5S/c1-13(22)20-7-5-16(23)21-8-9-27-12-15(10-17(24)26-2)18(25)14-4-3-6-19-11-14/h3-4,6,11,15H,5,7-10,12H2,1-2H3,(H,20,22)(H,21,23)