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

Systemtic Name: 3-cyclohexyl-3-[[1-(phenylmethyl)sulfonyl-3-(2-thiophen-2-ylethanoyl)imidazolidin-2-yl]carbonylamino]propanoic acid Openeye Name: 3-[[1-benzylsulfonyl-3-[2-(2-thienyl)acetyl]imidazolidine-2-carbonyl]amino]-3-cyclohexyl-propanoic acid CAS Name: 3-cyclohexyl-3-[[oxo-[1-(1-oxo-2-thiophen-2-ylethyl)-3-(phenylmethyl)sulfonyl-2-imidazolidinyl]methyl]amino]propanoic acid IUPAC Name: 3-[[1-benzylsulfonyl-3-(2-thiophen-2-ylacetyl)imidazolidine-2-carbonyl]amino]-3-cyclohexylpropanoic acid Traditional Name: 3-[[1-benzylsulfonyl-3-[2-(2-thienyl)acetyl]imidazolidine-2-carbonyl]amino]-3-cyclohexyl-propionic acid Formula: C26H33N3O6S2 MolecularWeight: 547.68672

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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=CS4

Isomeric SMILES

C1CCC(CC1)C(CC(=O)O)NC(=O)C2N(CCN2S(=O)(=O)CC3=CC=CC=C3)C(=O)CC4=CC=CS4

InChI

InChI=1S/C26H33N3O6S2/c30-23(16-21-12-7-15-36-21)28-13-14-29(37(34,35)18-19-8-3-1-4-9-19)26(28)25(33)27-22(17-24(31)32)20-10-5-2-6-11-20/h1,3-4,7-9,12,15,20,22,26H,2,5-6,10-11,13-14,16-18H2,(H,27,33)(H,31,32)