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

Systemtic Name: 3-cyclohexyl-3-[[1-(3-phenylpropanoyl)-3-thiophen-2-ylsulfonyl-imidazolidin-2-yl]carbonylamino]propanoic acid Openeye Name: 3-cyclohexyl-3-[[1-(3-phenylpropanoyl)-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]propanoic acid CAS Name: 3-cyclohexyl-3-[[oxo-[1-(1-oxo-3-phenylpropyl)-3-thiophen-2-ylsulfonyl-2-imidazolidinyl]methyl]amino]propanoic acid IUPAC Name: 3-cyclohexyl-3-[[1-(3-phenylpropanoyl)-3-thiophen-2-ylsulfonylimidazolidine-2-carbonyl]amino]propanoic acid Traditional Name: 3-cyclohexyl-3-[[1-hydrocinnamoyl-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]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)C3=CC=CS3)C(=O)CCC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)C(CC(=O)O)NC(=O)C2N(CCN2S(=O)(=O)C3=CC=CS3)C(=O)CCC4=CC=CC=C4

InChI

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