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

Systemtic Name: 2-[2-[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-imidazol-4-yl]ethanoylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-imidazol-4-yl]acetyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[2-[3-[(2-chlorophenyl)methyl]-2-(propylthio)-4-imidazolyl]-1-oxoethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-[3-[(2-chlorophenyl)methyl]-2-propylsulfanylimidazol-4-yl]acetyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-[3-(2-chlorobenzyl)-2-(propylthio)imidazol-4-yl]acetyl]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)CC(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C24H26ClN3O3S/c1-2-12-32-24-26-15-19(28(24)16-18-10-6-7-11-20(18)25)14-22(29)27-21(23(30)31)13-17-8-4-3-5-9-17/h3-11,15,21H,2,12-14,16H2,1H3,(H,27,29)(H,30,31)