ethyl 2-[(2-chlorophenyl)methyl-(2-propylsulfanylbutanoyl)amino]-3-(1H-imidazol-5-yl)propanoate

Systemtic Name: ethyl 2-[(2-chlorophenyl)methyl-(2-propylsulfanylbutanoyl)amino]-3-(1H-imidazol-5-yl)propanoate Openeye Name: ethyl 2-[(2-chlorophenyl)methyl-(2-propylsulfanylbutanoyl)amino]-3-(1H-imidazol-5-yl)propanoate CAS Name: 2-[(2-chlorophenyl)methyl-[1-oxo-2-(propylthio)butyl]amino]-3-(1H-imidazol-5-yl)propanoic acid ethyl ester IUPAC Name: ethyl 2-[(2-chlorophenyl)methyl-(2-propylsulfanylbutanoyl)amino]-3-(1H-imidazol-5-yl)propanoate Traditional Name: 2-[(2-chlorobenzyl)-[2-(propylthio)butanoyl]amino]-3-(1H-imidazol-5-yl)propionic acid ethyl ester Formula: C22H30ClN3O3S MolecularWeight: 452.0099

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC(CC)C(=O)N(CC1=CC=CC=C1Cl)C(CC2=CN=CN2)C(=O)OCC

Isomeric SMILES

CCCSC(CC)C(=O)N(CC1=CC=CC=C1Cl)C(CC2=CN=CN2)C(=O)OCC

InChI

InChI=1S/C22H30ClN3O3S/c1-4-11-30-20(5-2)21(27)26(14-16-9-7-8-10-18(16)23)19(22(28)29-6-3)12-17-13-24-15-25-17/h7-10,13,15,19-20H,4-6,11-12,14H2,1-3H3,(H,24,25)