3-cyclohexyl-3-[[1-(2-phenylethanoyl)-3-thiophen-2-ylsulfonyl-imidazolidin-2-yl]carbonylamino]propanoic acid

Systemtic Name: 3-cyclohexyl-3-[[1-(2-phenylethanoyl)-3-thiophen-2-ylsulfonyl-imidazolidin-2-yl]carbonylamino]propanoic acid Openeye Name: 3-cyclohexyl-3-[[1-(2-phenylacetyl)-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]propanoic acid CAS Name: 3-cyclohexyl-3-[[oxo-[1-(1-oxo-2-phenylethyl)-3-thiophen-2-ylsulfonyl-2-imidazolidinyl]methyl]amino]propanoic acid IUPAC Name: 3-cyclohexyl-3-[[1-(2-phenylacetyl)-3-thiophen-2-ylsulfonylimidazolidine-2-carbonyl]amino]propanoic acid Traditional Name: 3-cyclohexyl-3-[[1-(2-phenylacetyl)-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]propionic acid Formula: C25H31N3O6S2 MolecularWeight: 533.66014

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(CC(=O)O)NC(=O)C2N(CCN2S(=O)(=O)C3=CC=CS3)C(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)C(CC(=O)O)NC(=O)C2N(CCN2S(=O)(=O)C3=CC=CS3)C(=O)CC4=CC=CC=C4

InChI

InChI=1S/C25H31N3O6S2/c29-21(16-18-8-3-1-4-9-18)27-13-14-28(36(33,34)23-12-7-15-35-23)25(27)24(32)26-20(17-22(30)31)19-10-5-2-6-11-19/h1,3-4,7-9,12,15,19-20,25H,2,5-6,10-11,13-14,16-17H2,(H,26,32)(H,30,31)