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

Systemtic Name: 2-[[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-imidazol-4-yl]carbonylamino]propanoic acid Openeye Name: 2-[[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-imidazole-4-carbonyl]amino]propanoic acid CAS Name: 2-[[[3-[(2-chlorophenyl)methyl]-2-(propylthio)-4-imidazolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 2-[[3-[(2-chlorophenyl)methyl]-2-propylsulfanylimidazole-4-carbonyl]amino]propanoic acid Traditional Name: 2-[[3-(2-chlorobenzyl)-2-(propylthio)imidazole-4-carbonyl]amino]propionic acid Formula: C17H20ClN3O3S MolecularWeight: 381.877

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClN3O3S/c1-3-8-25-17-19-9-14(15(22)20-11(2)16(23)24)21(17)10-12-6-4-5-7-13(12)18/h4-7,9,11H,3,8,10H2,1-2H3,(H,20,22)(H,23,24)