3-[[4-(4-fluorophenyl)carbonyl-1-(2-methoxyethanoyl)piperazin-2-yl]carbonylamino]-3-thiophen-2-yl-propanoic acid

Systemtic Name: 3-[[4-(4-fluorophenyl)carbonyl-1-(2-methoxyethanoyl)piperazin-2-yl]carbonylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[[4-(4-fluorobenzoyl)-1-(2-methoxyacetyl)piperazine-2-carbonyl]amino]-3-(2-thienyl)propanoic acid CAS Name: 3-[[[4-[(4-fluorophenyl)-oxomethyl]-1-(2-methoxy-1-oxoethyl)-2-piperazinyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[[4-(4-fluorobenzoyl)-1-(2-methoxyacetyl)piperazine-2-carbonyl]amino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[[4-(4-fluorobenzoyl)-1-(2-methoxyacetyl)piperazine-2-carbonyl]amino]-3-(2-thienyl)propionic acid Formula: C22H24FN3O6S MolecularWeight: 477.505863

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Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)N1CCN(CC1C(=O)NC(CC(=O)O)C2=CC=CS2)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

COCC(=O)N1CCN(CC1C(=O)NC(CC(=O)O)C2=CC=CS2)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H24FN3O6S/c1-32-13-19(27)26-9-8-25(22(31)14-4-6-15(23)7-5-14)12-17(26)21(30)24-16(11-20(28)29)18-3-2-10-33-18/h2-7,10,16-17H,8-9,11-13H2,1H3,(H,24,30)(H,28,29)