3-cyclohexyl-3-[[1-(3,3-dimethylbutanoyl)-3-(phenylmethyl)sulfonyl-imidazolidin-2-yl]carbonylamino]propanoic acid

Systemtic Name: 3-cyclohexyl-3-[[1-(3,3-dimethylbutanoyl)-3-(phenylmethyl)sulfonyl-imidazolidin-2-yl]carbonylamino]propanoic acid Openeye Name: 3-[[1-benzylsulfonyl-3-(3,3-dimethylbutanoyl)imidazolidine-2-carbonyl]amino]-3-cyclohexyl-propanoic acid CAS Name: 3-cyclohexyl-3-[[[1-(3,3-dimethyl-1-oxobutyl)-3-(phenylmethyl)sulfonyl-2-imidazolidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[1-benzylsulfonyl-3-(3,3-dimethylbutanoyl)imidazolidine-2-carbonyl]amino]-3-cyclohexylpropanoic acid Traditional Name: 3-[[1-benzylsulfonyl-3-(3,3-dimethylbutanoyl)imidazolidine-2-carbonyl]amino]-3-cyclohexyl-propionic acid Formula: C26H39N3O6S MolecularWeight: 521.66936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N1CCN(C1C(=O)NC(CC(=O)O)C2CCCCC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)CC(=O)N1CCN(C1C(=O)NC(CC(=O)O)C2CCCCC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C26H39N3O6S/c1-26(2,3)17-22(30)28-14-15-29(36(34,35)18-19-10-6-4-7-11-19)25(28)24(33)27-21(16-23(31)32)20-12-8-5-9-13-20/h4,6-7,10-11,20-21,25H,5,8-9,12-18H2,1-3H3,(H,27,33)(H,31,32)