2-[[2-azanyl-3-(4-fluorophenyl)propanoyl]amino]-3-methyl-3-sulfanyl-butanoic acid

Systemtic Name: 2-[[2-azanyl-3-(4-fluorophenyl)propanoyl]amino]-3-methyl-3-sulfanyl-butanoic acid Openeye Name: 2-[[2-amino-3-(4-fluorophenyl)propanoyl]amino]-3-methyl-3-sulfanyl-butanoic acid CAS Name: 2-[[2-amino-3-(4-fluorophenyl)-1-oxopropyl]amino]-3-mercapto-3-methylbutanoic acid IUPAC Name: 2-[[2-amino-3-(4-fluorophenyl)propanoyl]amino]-3-methyl-3-sulfanylbutanoic acid Traditional Name: 2-[[2-amino-3-(4-fluorophenyl)propanoyl]amino]-3-mercapto-3-methyl-butyric acid Formula: C14H19FN2O3S MolecularWeight: 314.375663

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)O)NC(=O)C(CC1=CC=C(C=C1)F)N)S

Isomeric SMILES

CC(C)(C(C(=O)O)NC(=O)C(CC1=CC=C(C=C1)F)N)S

InChI

InChI=1S/C14H19FN2O3S/c1-14(2,21)11(13(19)20)17-12(18)10(16)7-8-3-5-9(15)6-4-8/h3-6,10-11,21H,7,16H2,1-2H3,(H,17,18)(H,19,20)