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

Systemtic Name: 3-cyclohexyl-3-[[1-(2-phenylethanoyl)-3-(phenylmethyl)sulfonyl-imidazolidin-2-yl]carbonylamino]propanoic acid Openeye Name: 3-[[1-benzylsulfonyl-3-(2-phenylacetyl)imidazolidine-2-carbonyl]amino]-3-cyclohexyl-propanoic acid CAS Name: 3-cyclohexyl-3-[[oxo-[1-(1-oxo-2-phenylethyl)-3-(phenylmethyl)sulfonyl-2-imidazolidinyl]methyl]amino]propanoic acid IUPAC Name: 3-[[1-benzylsulfonyl-3-(2-phenylacetyl)imidazolidine-2-carbonyl]amino]-3-cyclohexylpropanoic acid Traditional Name: 3-[[1-benzylsulfonyl-3-(2-phenylacetyl)imidazolidine-2-carbonyl]amino]-3-cyclohexyl-propionic acid Formula: C28H35N3O6S MolecularWeight: 541.659

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(CC(=O)O)NC(=O)C2N(CCN2S(=O)(=O)CC3=CC=CC=C3)C(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)C(CC(=O)O)NC(=O)C2N(CCN2S(=O)(=O)CC3=CC=CC=C3)C(=O)CC4=CC=CC=C4

InChI

InChI=1S/C28H35N3O6S/c32-25(18-21-10-4-1-5-11-21)30-16-17-31(38(36,37)20-22-12-6-2-7-13-22)28(30)27(35)29-24(19-26(33)34)23-14-8-3-9-15-23/h1-2,4-7,10-13,23-24,28H,3,8-9,14-20H2,(H,29,35)(H,33,34)