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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)S(=O)(=O)CN1C=CN=C1CCC(=O)ONC(=O)CCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)S(=O)(=O)CN1C=CN=C1CCC(=O)ONC(=O)CCC2=CC=CC=C2

InChI

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