(3S)-5-[(4-fluorophenyl)methylsulfanyl]-3-[(6-methylpyridin-3-yl)carbonylamino]-4-oxidanylidene-pentanoic acid

Systemtic Name: (3S)-5-[(4-fluorophenyl)methylsulfanyl]-3-[(6-methylpyridin-3-yl)carbonylamino]-4-oxidanylidene-pentanoic acid Openeye Name: (3S)-5-[(4-fluorophenyl)methylsulfanyl]-3-[(6-methylpyridine-3-carbonyl)amino]-4-oxo-pentanoic acid CAS Name: (3S)-5-[(4-fluorophenyl)methylthio]-3-[[(6-methyl-3-pyridinyl)-oxomethyl]amino]-4-oxopentanoic acid IUPAC Name: (3S)-5-[(4-fluorophenyl)methylsulfanyl]-3-[(6-methylpyridine-3-carbonyl)amino]-4-oxopentanoic acid Traditional Name: (3S)-5-[(4-fluorobenzyl)thio]-4-keto-3-[(6-methylnicotinoyl)amino]valeric acid Formula: C19H19FN2O4S MolecularWeight: 390.428563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)C(=O)NC(CC(=O)O)C(=O)CSCC2=CC=C(C=C2)F

Isomeric SMILES

CC1=NC=C(C=C1)C(=O)N[C@@H](CC(=O)O)C(=O)CSCC2=CC=C(C=C2)F

InChI

InChI=1S/C19H19FN2O4S/c1-12-2-5-14(9-21-12)19(26)22-16(8-18(24)25)17(23)11-27-10-13-3-6-15(20)7-4-13/h2-7,9,16H,8,10-11H2,1H3,(H,22,26)(H,24,25)/t16-/m0/s1