(2R)-3-(2-dimethylaminoethylcarbamothioylsulfanyl)-2-[(4-fluorophenyl)carbonylamino]-3-methyl-butanoic acid

Systemtic Name: (2R)-3-(2-dimethylaminoethylcarbamothioylsulfanyl)-2-[(4-fluorophenyl)carbonylamino]-3-methyl-butanoic acid Openeye Name: (2R)-3-(2-dimethylaminoethylcarbamothioylsulfanyl)-2-[(4-fluorobenzoyl)amino]-3-methyl-butanoic acid CAS Name: (2R)-3-[[(2-dimethylaminoethylamino)-sulfanylidenemethyl]thio]-2-[[(4-fluorophenyl)-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: (2R)-3-(2-dimethylaminoethylcarbamothioylsulfanyl)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoic acid Traditional Name: (2R)-3-(2-dimethylaminoethylthiocarbamoylthio)-2-[(4-fluorobenzoyl)amino]-3-methyl-butyric acid Formula: C17H24FN3O3S2 MolecularWeight: 401.519163

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)O)NC(=O)C1=CC=C(C=C1)F)SC(=S)NCCN(C)C

Isomeric SMILES

CC(C)([C@@H](C(=O)O)NC(=O)C1=CC=C(C=C1)F)SC(=S)NCCN(C)C

InChI

InChI=1S/C17H24FN3O3S2/c1-17(2,26-16(25)19-9-10-21(3)4)13(15(23)24)20-14(22)11-5-7-12(18)8-6-11/h5-8,13H,9-10H2,1-4H3,(H,19,25)(H,20,22)(H,23,24)/t13-/m1/s1