2-[[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-imidazol-4-yl]-ethanoyl-amino]-4-phenyl-butanoic acid

Systemtic Name: 2-[[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-imidazol-4-yl]-ethanoyl-amino]-4-phenyl-butanoic acid Openeye Name: 2-[acetyl-[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-imidazol-4-yl]amino]-4-phenyl-butanoic acid CAS Name: 2-[acetyl-[3-[(2-chlorophenyl)methyl]-2-(propylthio)-4-imidazolyl]amino]-4-phenylbutanoic acid IUPAC Name: 2-[acetyl-[3-[(2-chlorophenyl)methyl]-2-propylsulfanylimidazol-4-yl]amino]-4-phenylbutanoic acid Traditional Name: 2-[acetyl-[3-(2-chlorobenzyl)-2-(propylthio)imidazol-4-yl]amino]-4-phenyl-butyric acid Formula: C25H28ClN3O3S MolecularWeight: 486.02612

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC=C(N1CC2=CC=CC=C2Cl)N(C(CCC3=CC=CC=C3)C(=O)O)C(=O)C

Isomeric SMILES

CCCSC1=NC=C(N1CC2=CC=CC=C2Cl)N(C(CCC3=CC=CC=C3)C(=O)O)C(=O)C

InChI

InChI=1S/C25H28ClN3O3S/c1-3-15-33-25-27-16-23(28(25)17-20-11-7-8-12-21(20)26)29(18(2)30)22(24(31)32)14-13-19-9-5-4-6-10-19/h4-12,16,22H,3,13-15,17H2,1-2H3,(H,31,32)