3-[[3-methoxy-3-oxidanylidene-2-(prop-2-enylcarbamoylamino)propyl]sulfanylmethyl]-4-oxidanylidene-4-pyridin-3-yl-butanoic acid

Systemtic Name: 3-[[3-methoxy-3-oxidanylidene-2-(prop-2-enylcarbamoylamino)propyl]sulfanylmethyl]-4-oxidanylidene-4-pyridin-3-yl-butanoic acid Openeye Name: 3-[[2-(allylcarbamoylamino)-3-methoxy-3-oxo-propyl]sulfanylmethyl]-4-oxo-4-(3-pyridyl)butanoic acid CAS Name: 3-[[[3-methoxy-3-oxo-2-[[oxo-(prop-2-enylamino)methyl]amino]propyl]thio]methyl]-4-oxo-4-(3-pyridinyl)butanoic acid IUPAC Name: 3-[[3-methoxy-3-oxo-2-(prop-2-enylcarbamoylamino)propyl]sulfanylmethyl]-4-oxo-4-pyridin-3-ylbutanoic acid Traditional Name: 3-[[[2-(allylcarbamoylamino)-3-keto-3-methoxy-propyl]thio]methyl]-4-keto-4-(3-pyridyl)butyric acid Formula: C18H23N3O6S MolecularWeight: 409.45672

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CSCC(CC(=O)O)C(=O)C1=CN=CC=C1)NC(=O)NCC=C

Isomeric SMILES

COC(=O)C(CSCC(CC(=O)O)C(=O)C1=CN=CC=C1)NC(=O)NCC=C

InChI

InChI=1S/C18H23N3O6S/c1-3-6-20-18(26)21-14(17(25)27-2)11-28-10-13(8-15(22)23)16(24)12-5-4-7-19-9-12/h3-5,7,9,13-14H,1,6,8,10-11H2,2H3,(H,22,23)(H2,20,21,26)