2-azanyl-3-[(3,4-dimethylphenyl)-(4-fluorophenyl)methyl]sulfanyl-3-methyl-butanoic acid

Systemtic Name: 2-azanyl-3-[(3,4-dimethylphenyl)-(4-fluorophenyl)methyl]sulfanyl-3-methyl-butanoic acid Openeye Name: 2-amino-3-[(3,4-dimethylphenyl)-(4-fluorophenyl)methyl]sulfanyl-3-methyl-butanoic acid CAS Name: 2-amino-3-[[(3,4-dimethylphenyl)-(4-fluorophenyl)methyl]thio]-3-methylbutanoic acid IUPAC Name: 2-amino-3-[(3,4-dimethylphenyl)-(4-fluorophenyl)methyl]sulfanyl-3-methylbutanoic acid Traditional Name: 2-amino-3-[[(3,4-dimethylphenyl)-(4-fluorophenyl)methyl]thio]-3-methyl-butyric acid Formula: C20H24FNO2S MolecularWeight: 361.473463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C2=CC=C(C=C2)F)SC(C)(C)C(C(=O)O)N)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(C2=CC=C(C=C2)F)SC(C)(C)C(C(=O)O)N)C

InChI

InChI=1S/C20H24FNO2S/c1-12-5-6-15(11-13(12)2)17(14-7-9-16(21)10-8-14)25-20(3,4)18(22)19(23)24/h5-11,17-18H,22H2,1-4H3,(H,23,24)