3-[[4-[(3-ethyl-4-phenyl-phenyl)methylsulfanyl]phenyl]methylamino]propanoic acid

Systemtic Name: 3-[[4-[(3-ethyl-4-phenyl-phenyl)methylsulfanyl]phenyl]methylamino]propanoic acid Openeye Name: 3-[[4-[(3-ethyl-4-phenyl-phenyl)methylsulfanyl]phenyl]methylamino]propanoic acid CAS Name: 3-[[4-[(3-ethyl-4-phenylphenyl)methylthio]phenyl]methylamino]propanoic acid IUPAC Name: 3-[[4-[(3-ethyl-4-phenylphenyl)methylsulfanyl]phenyl]methylamino]propanoic acid Traditional Name: 3-[[4-[(3-ethyl-4-phenyl-benzyl)thio]benzyl]amino]propionic acid Formula: C25H27NO2S MolecularWeight: 405.55238

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)CSC2=CC=C(C=C2)CNCCC(=O)O)C3=CC=CC=C3

Isomeric SMILES

CCC1=C(C=CC(=C1)CSC2=CC=C(C=C2)CNCCC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C25H27NO2S/c1-2-21-16-20(10-13-24(21)22-6-4-3-5-7-22)18-29-23-11-8-19(9-12-23)17-26-15-14-25(27)28/h3-13,16,26H,2,14-15,17-18H2,1H3,(H,27,28)