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

Systemtic Name: 2-(butanoylamino)-3-[1-[(2-chlorophenyl)methyl]-2-propylsulfanyl-imidazol-4-yl]propanoic acid Openeye Name: 2-(butanoylamino)-3-[1-[(2-chlorophenyl)methyl]-2-propylsulfanyl-imidazol-4-yl]propanoic acid CAS Name: 3-[1-[(2-chlorophenyl)methyl]-2-(propylthio)-4-imidazolyl]-2-(1-oxobutylamino)propanoic acid IUPAC Name: 2-(butanoylamino)-3-[1-[(2-chlorophenyl)methyl]-2-propylsulfanylimidazol-4-yl]propanoic acid Traditional Name: 2-butyramido-3-[1-(2-chlorobenzyl)-2-(propylthio)imidazol-4-yl]propionic acid Formula: C20H26ClN3O3S MolecularWeight: 423.95674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26ClN3O3S/c1-3-7-18(25)23-17(19(26)27)11-15-13-24(20(22-15)28-10-4-2)12-14-8-5-6-9-16(14)21/h5-6,8-9,13,17H,3-4,7,10-12H2,1-2H3,(H,23,25)(H,26,27)