methyl 3-[3-(tert-butylsulfonylmethyl)-2-(3-phenylpropanoylamino)imidazol-4-yl]propanoate

Systemtic Name: methyl 3-[3-(tert-butylsulfonylmethyl)-2-(3-phenylpropanoylamino)imidazol-4-yl]propanoate Openeye Name: methyl 3-[3-(tert-butylsulfonylmethyl)-2-(3-phenylpropanoylamino)imidazol-4-yl]propanoate CAS Name: 3-[3-(tert-butylsulfonylmethyl)-2-[(1-oxo-3-phenylpropyl)amino]-4-imidazolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[3-(tert-butylsulfonylmethyl)-2-(3-phenylpropanoylamino)imidazol-4-yl]propanoate Traditional Name: 3-[3-(tert-butylsulfonylmethyl)-2-(hydrocinnamoylamino)imidazol-4-yl]propionic acid methyl ester Formula: C21H29N3O5S MolecularWeight: 435.53706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)S(=O)(=O)CN1C(=CN=C1NC(=O)CCC2=CC=CC=C2)CCC(=O)OC

Isomeric SMILES

CC(C)(C)S(=O)(=O)CN1C(=CN=C1NC(=O)CCC2=CC=CC=C2)CCC(=O)OC

InChI

InChI=1S/C21H29N3O5S/c1-21(2,3)30(27,28)15-24-17(11-13-19(26)29-4)14-22-20(24)23-18(25)12-10-16-8-6-5-7-9-16/h5-9,14H,10-13,15H2,1-4H3,(H,22,23,25)