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

Systemtic Name: methyl 3-[5-(tert-butylsulfonylmethyl)-1-(3-phenylpropanoylamino)imidazol-2-yl]propanoate Openeye Name: methyl 3-[5-(tert-butylsulfonylmethyl)-1-(3-phenylpropanoylamino)imidazol-2-yl]propanoate CAS Name: 3-[5-(tert-butylsulfonylmethyl)-1-[(1-oxo-3-phenylpropyl)amino]-2-imidazolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[5-(tert-butylsulfonylmethyl)-1-(3-phenylpropanoylamino)imidazol-2-yl]propanoate Traditional Name: 3-[5-(tert-butylsulfonylmethyl)-1-(hydrocinnamoylamino)imidazol-2-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)CC1=CN=C(N1NC(=O)CCC2=CC=CC=C2)CCC(=O)OC

Isomeric SMILES

CC(C)(C)S(=O)(=O)CC1=CN=C(N1NC(=O)CCC2=CC=CC=C2)CCC(=O)OC

InChI

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