2-azanyl-3-[(2-fluorophenyl)-(2-phenylmethoxyphenyl)methyl]sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-[(2-fluorophenyl)-(2-phenylmethoxyphenyl)methyl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[(2-benzyloxyphenyl)-(2-fluorophenyl)methyl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[(2-fluorophenyl)-(2-phenylmethoxyphenyl)methyl]thio]propanoic acid IUPAC Name: 2-amino-3-[(2-fluorophenyl)-(2-phenylmethoxyphenyl)methyl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[(2-benzoxyphenyl)-(2-fluorophenyl)methyl]thio]propionic acid Formula: C23H22FNO3S MolecularWeight: 411.489083

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=CC=C2C(C3=CC=CC=C3F)SCC(C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC=C2C(C3=CC=CC=C3F)SCC(C(=O)O)N

InChI

InChI=1S/C23H22FNO3S/c24-19-12-6-4-10-17(19)22(29-15-20(25)23(26)27)18-11-5-7-13-21(18)28-14-16-8-2-1-3-9-16/h1-13,20,22H,14-15,25H2,(H,26,27)