3-(1H-imidazol-5-yl)-3-[(4-phenylphenyl)methyl-(2-thiophen-2-ylethyl)amino]propanoic acid

Systemtic Name: 3-(1H-imidazol-5-yl)-3-[(4-phenylphenyl)methyl-(2-thiophen-2-ylethyl)amino]propanoic acid Openeye Name: 3-(1H-imidazol-5-yl)-3-[(4-phenylphenyl)methyl-[2-(2-thienyl)ethyl]amino]propanoic acid CAS Name: 3-(1H-imidazol-5-yl)-3-[(4-phenylphenyl)methyl-(2-thiophen-2-ylethyl)amino]propanoic acid IUPAC Name: 3-(1H-imidazol-5-yl)-3-[(4-phenylphenyl)methyl-(2-thiophen-2-ylethyl)amino]propanoic acid Traditional Name: 3-(1H-imidazol-5-yl)-3-[(4-phenylbenzyl)-[2-(2-thienyl)ethyl]amino]propionic acid Formula: C25H25N3O2S MolecularWeight: 431.5499

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)CN(CCC3=CC=CS3)C(CC(=O)O)C4=CN=CN4

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)CN(CCC3=CC=CS3)C(CC(=O)O)C4=CN=CN4

InChI

InChI=1S/C25H25N3O2S/c29-25(30)15-24(23-16-26-18-27-23)28(13-12-22-7-4-14-31-22)17-19-8-10-21(11-9-19)20-5-2-1-3-6-20/h1-11,14,16,18,24H,12-13,15,17H2,(H,26,27)(H,29,30)