(3-phenylpropanoylamino) 3-(3-tert-butylsulfonyl-2-methyl-imidazol-4-yl)propanoate

Systemtic Name: (3-phenylpropanoylamino) 3-(3-tert-butylsulfonyl-2-methyl-imidazol-4-yl)propanoate Openeye Name: (3-phenylpropanoylamino) 3-(3-tert-butylsulfonyl-2-methyl-imidazol-4-yl)propanoate CAS Name: 3-(3-tert-butylsulfonyl-2-methyl-4-imidazolyl)propanoic acid [(1-oxo-3-phenylpropyl)amino] ester IUPAC Name: (3-phenylpropanoylamino) 3-(3-tert-butylsulfonyl-2-methylimidazol-4-yl)propanoate Traditional Name: 3-(3-tert-butylsulfonyl-2-methyl-imidazol-4-yl)propionic acid (hydrocinnamoylamino) ester Formula: C20H27N3O5S MolecularWeight: 421.51048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1S(=O)(=O)C(C)(C)C)CCC(=O)ONC(=O)CCC2=CC=CC=C2

Isomeric SMILES

CC1=NC=C(N1S(=O)(=O)C(C)(C)C)CCC(=O)ONC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C20H27N3O5S/c1-15-21-14-17(23(15)29(26,27)20(2,3)4)11-13-19(25)28-22-18(24)12-10-16-8-6-5-7-9-16/h5-9,14H,10-13H2,1-4H3,(H,22,24)