(2R)-2-azanyl-3-[2-[(4-fluorophenyl)-propan-2-yl-amino]-2-oxidanylidene-ethyl]sulfanyl-propanoic acid

Systemtic Name: (2R)-2-azanyl-3-[2-[(4-fluorophenyl)-propan-2-yl-amino]-2-oxidanylidene-ethyl]sulfanyl-propanoic acid Openeye Name: (2R)-2-amino-3-[2-(4-fluoro-N-isopropyl-anilino)-2-oxo-ethyl]sulfanyl-propanoic acid CAS Name: (2R)-2-amino-3-[[2-(4-fluoro-N-propan-2-ylanilino)-2-oxoethyl]thio]propanoic acid IUPAC Name: (2R)-2-amino-3-[2-(4-fluoro-N-propan-2-ylanilino)-2-oxoethyl]sulfanylpropanoic acid Traditional Name: (2R)-2-amino-3-[[2-(4-fluoro-N-isopropyl-anilino)-2-keto-ethyl]thio]propionic acid Formula: C14H19FN2O3S MolecularWeight: 314.375663

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=CC=C(C=C1)F)C(=O)CSCC(C(=O)O)N

Isomeric SMILES

CC(C)N(C1=CC=C(C=C1)F)C(=O)CSC[C@@H](C(=O)O)N

InChI

InChI=1S/C14H19FN2O3S/c1-9(2)17(11-5-3-10(15)4-6-11)13(18)8-21-7-12(16)14(19)20/h3-6,9,12H,7-8,16H2,1-2H3,(H,19,20)/t12-/m0/s1