3-cyclohexyl-3-[[1-[(5-methyl-1,2-oxazol-3-yl)carbonyl]-3-thiophen-2-ylsulfonyl-imidazolidin-2-yl]carbonylamino]propanoic acid

Systemtic Name: 3-cyclohexyl-3-[[1-[(5-methyl-1,2-oxazol-3-yl)carbonyl]-3-thiophen-2-ylsulfonyl-imidazolidin-2-yl]carbonylamino]propanoic acid Openeye Name: 3-cyclohexyl-3-[[1-(5-methylisoxazole-3-carbonyl)-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]propanoic acid CAS Name: 3-cyclohexyl-3-[[[1-[(5-methyl-3-isoxazolyl)-oxomethyl]-3-thiophen-2-ylsulfonyl-2-imidazolidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-cyclohexyl-3-[[1-(5-methyl-1,2-oxazole-3-carbonyl)-3-thiophen-2-ylsulfonylimidazolidine-2-carbonyl]amino]propanoic acid Traditional Name: 3-cyclohexyl-3-[[1-(5-methylisoxazole-3-carbonyl)-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]propionic acid Formula: C22H28N4O7S2 MolecularWeight: 524.61032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C(=O)N2CCN(C2C(=O)NC(CC(=O)O)C3CCCCC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC(=NO1)C(=O)N2CCN(C2C(=O)NC(CC(=O)O)C3CCCCC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C22H28N4O7S2/c1-14-12-17(24-33-14)22(30)25-9-10-26(35(31,32)19-8-5-11-34-19)21(25)20(29)23-16(13-18(27)28)15-6-3-2-4-7-15/h5,8,11-12,15-16,21H,2-4,6-7,9-10,13H2,1H3,(H,23,29)(H,27,28)