2-[[3-[(2-chlorophenyl)methyl]-2-pentylsulfanyl-imidazol-4-yl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[3-[(2-chlorophenyl)methyl]-2-pentylsulfanyl-imidazol-4-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[3-[(2-chlorophenyl)methyl]-2-pentylsulfanyl-imidazole-4-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[3-[(2-chlorophenyl)methyl]-2-(pentylthio)-4-imidazolyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[3-[(2-chlorophenyl)methyl]-2-pentylsulfanylimidazole-4-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-(amylthio)-3-(2-chlorobenzyl)imidazole-4-carbonyl]amino]-3-phenyl-propionic acid Formula: C25H28ClN3O3S MolecularWeight: 486.02612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC=C(N1CC2=CC=CC=C2Cl)C(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCCCSC1=NC=C(N1CC2=CC=CC=C2Cl)C(=O)NC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C25H28ClN3O3S/c1-2-3-9-14-33-25-27-16-22(29(25)17-19-12-7-8-13-20(19)26)23(30)28-21(24(31)32)15-18-10-5-4-6-11-18/h4-8,10-13,16,21H,2-3,9,14-15,17H2,1H3,(H,28,30)(H,31,32)