3-[[4-[(3-methyl-4-phenyl-phenyl)sulfanylmethyl]phenyl]methylamino]propanoic acid

Systemtic Name: 3-[[4-[(3-methyl-4-phenyl-phenyl)sulfanylmethyl]phenyl]methylamino]propanoic acid Openeye Name: 3-[[4-[(3-methyl-4-phenyl-phenyl)sulfanylmethyl]phenyl]methylamino]propanoic acid CAS Name: 3-[[4-[[(3-methyl-4-phenylphenyl)thio]methyl]phenyl]methylamino]propanoic acid IUPAC Name: 3-[[4-[(3-methyl-4-phenylphenyl)sulfanylmethyl]phenyl]methylamino]propanoic acid Traditional Name: 3-[[4-[[(3-methyl-4-phenyl-phenyl)thio]methyl]benzyl]amino]propionic acid Formula: C24H25NO2S MolecularWeight: 391.5258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SCC2=CC=C(C=C2)CNCCC(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)SCC2=CC=C(C=C2)CNCCC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C24H25NO2S/c1-18-15-22(11-12-23(18)21-5-3-2-4-6-21)28-17-20-9-7-19(8-10-20)16-25-14-13-24(26)27/h2-12,15,25H,13-14,16-17H2,1H3,(H,26,27)