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

Systemtic Name: 2-[[3-[(2-chlorophenyl)methyl]-2-hexylsulfanyl-imidazol-4-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[3-[(2-chlorophenyl)methyl]-2-hexylsulfanyl-imidazole-4-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[3-[(2-chlorophenyl)methyl]-2-(hexylthio)-4-imidazolyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[3-[(2-chlorophenyl)methyl]-2-hexylsulfanylimidazole-4-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[3-(2-chlorobenzyl)-2-(hexylthio)imidazole-4-carbonyl]amino]-3-phenyl-propionic acid Formula: C26H30ClN3O3S MolecularWeight: 500.0527

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC=C(N1CC2=CC=CC=C2Cl)C(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCCCCSC1=NC=C(N1CC2=CC=CC=C2Cl)C(=O)NC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C26H30ClN3O3S/c1-2-3-4-10-15-34-26-28-17-23(30(26)18-20-13-8-9-14-21(20)27)24(31)29-22(25(32)33)16-19-11-6-5-7-12-19/h5-9,11-14,17,22H,2-4,10,15-16,18H2,1H3,(H,29,31)(H,32,33)