2-azanyl-3-[(3,4-diethylphenyl)-(2-fluoranyl-4-methoxy-phenyl)methyl]sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-[(3,4-diethylphenyl)-(2-fluoranyl-4-methoxy-phenyl)methyl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[(3,4-diethylphenyl)-(2-fluoro-4-methoxy-phenyl)methyl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[(3,4-diethylphenyl)-(2-fluoro-4-methoxyphenyl)methyl]thio]propanoic acid IUPAC Name: 2-amino-3-[(3,4-diethylphenyl)-(2-fluoro-4-methoxyphenyl)methyl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[(3,4-diethylphenyl)-(2-fluoro-4-methoxy-phenyl)methyl]thio]propionic acid Formula: C21H26FNO3S MolecularWeight: 391.499443

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(C2=C(C=C(C=C2)OC)F)SCC(C(=O)O)N)CC

Isomeric SMILES

CCC1=C(C=C(C=C1)C(C2=C(C=C(C=C2)OC)F)SCC(C(=O)O)N)CC

InChI

InChI=1S/C21H26FNO3S/c1-4-13-6-7-15(10-14(13)5-2)20(27-12-19(23)21(24)25)17-9-8-16(26-3)11-18(17)22/h6-11,19-20H,4-5,12,23H2,1-3H3,(H,24,25)