2-[[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-imidazol-4-yl]-ethanoyl-amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-imidazol-4-yl]-ethanoyl-amino]-3-phenyl-propanoic acid Openeye Name: 2-[acetyl-[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-imidazol-4-yl]amino]-3-phenyl-propanoic acid CAS Name: 2-[acetyl-[3-[(2-chlorophenyl)methyl]-2-(propylthio)-4-imidazolyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[acetyl-[3-[(2-chlorophenyl)methyl]-2-propylsulfanylimidazol-4-yl]amino]-3-phenylpropanoic acid Traditional Name: 2-[acetyl-[3-(2-chlorobenzyl)-2-(propylthio)imidazol-4-yl]amino]-3-phenyl-propionic acid Formula: C24H26ClN3O3S MolecularWeight: 471.99954

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC=C(N1CC2=CC=CC=C2Cl)N(C(CC3=CC=CC=C3)C(=O)O)C(=O)C

Isomeric SMILES

CCCSC1=NC=C(N1CC2=CC=CC=C2Cl)N(C(CC3=CC=CC=C3)C(=O)O)C(=O)C

InChI

InChI=1S/C24H26ClN3O3S/c1-3-13-32-24-26-15-22(27(24)16-19-11-7-8-12-20(19)25)28(17(2)29)21(23(30)31)14-18-9-5-4-6-10-18/h4-12,15,21H,3,13-14,16H2,1-2H3,(H,30,31)