2-[4-(tert-butylsulfonylmethyl)-2-(3-phenylpropanoylamino)imidazol-4-yl]propanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)C1(C=NC(=N1)NC(=O)CCC2=CC=CC=C2)CS(=O)(=O)C(C)(C)C

Isomeric SMILES

CC(C(=O)O)C1(C=NC(=N1)NC(=O)CCC2=CC=CC=C2)CS(=O)(=O)C(C)(C)C

InChI

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