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

Systemtic Name: 3-[[2-[(2-fluorophenyl)carbamoylamino]-3-methoxy-3-oxidanylidene-propyl]sulfanylmethyl]-4-oxidanylidene-4-pyridin-3-yl-butanoic acid Openeye Name: 3-[[2-[(2-fluorophenyl)carbamoylamino]-3-methoxy-3-oxo-propyl]sulfanylmethyl]-4-oxo-4-(3-pyridyl)butanoic acid CAS Name: 3-[[[2-[[(2-fluoroanilino)-oxomethyl]amino]-3-methoxy-3-oxopropyl]thio]methyl]-4-oxo-4-(3-pyridinyl)butanoic acid IUPAC Name: 3-[[2-[(2-fluorophenyl)carbamoylamino]-3-methoxy-3-oxopropyl]sulfanylmethyl]-4-oxo-4-pyridin-3-ylbutanoic acid Traditional Name: 3-[[[2-[(2-fluorophenyl)carbamoylamino]-3-keto-3-methoxy-propyl]thio]methyl]-4-keto-4-(3-pyridyl)butyric acid Formula: C21H22FN3O6S MolecularWeight: 463.479283

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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)NC2=CC=CC=C2F

Isomeric SMILES

COC(=O)C(CSCC(CC(=O)O)C(=O)C1=CN=CC=C1)NC(=O)NC2=CC=CC=C2F

InChI

InChI=1S/C21H22FN3O6S/c1-31-20(29)17(25-21(30)24-16-7-3-2-6-15(16)22)12-32-11-14(9-18(26)27)19(28)13-5-4-8-23-10-13/h2-8,10,14,17H,9,11-12H2,1H3,(H,26,27)(H2,24,25,30)