(3S)-5-[(4-fluorophenyl)methylsulfanyl]-3-[[5-(1,2-oxazol-3-ylmethylsulfamoyl)pyridin-3-yl]carbonylamino]-4-oxidanylidene-pentanoic acid

Systemtic Name: (3S)-5-[(4-fluorophenyl)methylsulfanyl]-3-[[5-(1,2-oxazol-3-ylmethylsulfamoyl)pyridin-3-yl]carbonylamino]-4-oxidanylidene-pentanoic acid Openeye Name: (3S)-5-[(4-fluorophenyl)methylsulfanyl]-3-[[5-(isoxazol-3-ylmethylsulfamoyl)pyridine-3-carbonyl]amino]-4-oxo-pentanoic acid CAS Name: (3S)-5-[(4-fluorophenyl)methylthio]-3-[[[5-(3-isoxazolylmethylsulfamoyl)-3-pyridinyl]-oxomethyl]amino]-4-oxopentanoic acid IUPAC Name: (3S)-5-[(4-fluorophenyl)methylsulfanyl]-3-[[5-(1,2-oxazol-3-ylmethylsulfamoyl)pyridine-3-carbonyl]amino]-4-oxopentanoic acid Traditional Name: (3S)-5-[(4-fluorobenzyl)thio]-3-[[5-(isoxazol-3-ylmethylsulfamoyl)nicotinoyl]amino]-4-keto-valeric acid Formula: C22H21FN4O7S2 MolecularWeight: 536.553143

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSCC(=O)C(CC(=O)O)NC(=O)C2=CC(=CN=C2)S(=O)(=O)NCC3=NOC=C3)F

Isomeric SMILES

C1=CC(=CC=C1CSCC(=O)[C@H](CC(=O)O)NC(=O)C2=CC(=CN=C2)S(=O)(=O)NCC3=NOC=C3)F

InChI

InChI=1S/C22H21FN4O7S2/c23-16-3-1-14(2-4-16)12-35-13-20(28)19(8-21(29)30)26-22(31)15-7-18(11-24-9-15)36(32,33)25-10-17-5-6-34-27-17/h1-7,9,11,19,25H,8,10,12-13H2,(H,26,31)(H,29,30)/t19-/m0/s1