(3-phenylpropanoylamino) 3-[2-(tert-butylsulfonylmethyl)-1H-imidazol-5-yl]propanoate

Systemtic Name: (3-phenylpropanoylamino) 3-[2-(tert-butylsulfonylmethyl)-1H-imidazol-5-yl]propanoate Openeye Name: (3-phenylpropanoylamino) 3-[2-(tert-butylsulfonylmethyl)-1H-imidazol-5-yl]propanoate CAS Name: 3-[2-(tert-butylsulfonylmethyl)-1H-imidazol-5-yl]propanoic acid [(1-oxo-3-phenylpropyl)amino] ester IUPAC Name: (3-phenylpropanoylamino) 3-[2-(tert-butylsulfonylmethyl)-1H-imidazol-5-yl]propanoate Traditional Name: 3-[2-(tert-butylsulfonylmethyl)-1H-imidazol-5-yl]propionic acid (hydrocinnamoylamino) ester Formula: C20H27N3O5S MolecularWeight: 421.51048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)S(=O)(=O)CC1=NC=C(N1)CCC(=O)ONC(=O)CCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)S(=O)(=O)CC1=NC=C(N1)CCC(=O)ONC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C20H27N3O5S/c1-20(2,3)29(26,27)14-17-21-13-16(22-17)10-12-19(25)28-23-18(24)11-9-15-7-5-4-6-8-15/h4-8,13H,9-12,14H2,1-3H3,(H,21,22)(H,23,24)