2-(butylamino)-3-[1-[(2-chlorophenyl)methyl]-2-propylsulfanyl-imidazol-4-yl]propanoic acid

Systemtic Name: 2-(butylamino)-3-[1-[(2-chlorophenyl)methyl]-2-propylsulfanyl-imidazol-4-yl]propanoic acid Openeye Name: 2-(butylamino)-3-[1-[(2-chlorophenyl)methyl]-2-propylsulfanyl-imidazol-4-yl]propanoic acid CAS Name: 2-(butylamino)-3-[1-[(2-chlorophenyl)methyl]-2-(propylthio)-4-imidazolyl]propanoic acid IUPAC Name: 2-(butylamino)-3-[1-[(2-chlorophenyl)methyl]-2-propylsulfanylimidazol-4-yl]propanoic acid Traditional Name: 2-(butylamino)-3-[1-(2-chlorobenzyl)-2-(propylthio)imidazol-4-yl]propionic acid Formula: C20H28ClN3O2S MolecularWeight: 409.97322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(CC1=CN(C(=N1)SCCC)CC2=CC=CC=C2Cl)C(=O)O

Isomeric SMILES

CCCCNC(CC1=CN(C(=N1)SCCC)CC2=CC=CC=C2Cl)C(=O)O

InChI

InChI=1S/C20H28ClN3O2S/c1-3-5-10-22-18(19(25)26)12-16-14-24(20(23-16)27-11-4-2)13-15-8-6-7-9-17(15)21/h6-9,14,18,22H,3-5,10-13H2,1-2H3,(H,25,26)