3-[[1-(5-tert-butyl-2-methyl-pyrazol-3-yl)carbonyl-3-(phenylmethyl)sulfonyl-imidazolidin-2-yl]carbonylamino]-3-cyclohexyl-propanoic acid

Systemtic Name: 3-[[1-(5-tert-butyl-2-methyl-pyrazol-3-yl)carbonyl-3-(phenylmethyl)sulfonyl-imidazolidin-2-yl]carbonylamino]-3-cyclohexyl-propanoic acid Openeye Name: 3-[[1-benzylsulfonyl-3-(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)imidazolidine-2-carbonyl]amino]-3-cyclohexyl-propanoic acid CAS Name: 3-[[[1-[(5-tert-butyl-2-methyl-3-pyrazolyl)-oxomethyl]-3-(phenylmethyl)sulfonyl-2-imidazolidinyl]-oxomethyl]amino]-3-cyclohexylpropanoic acid IUPAC Name: 3-[[1-benzylsulfonyl-3-(5-tert-butyl-2-methylpyrazole-3-carbonyl)imidazolidine-2-carbonyl]amino]-3-cyclohexylpropanoic acid Traditional Name: 3-[[1-benzylsulfonyl-3-(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)imidazolidine-2-carbonyl]amino]-3-cyclohexyl-propionic acid Formula: C29H41N5O6S MolecularWeight: 587.73074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)C(=O)N2CCN(C2C(=O)NC(CC(=O)O)C3CCCCC3)S(=O)(=O)CC4=CC=CC=C4)C

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)C(=O)N2CCN(C2C(=O)NC(CC(=O)O)C3CCCCC3)S(=O)(=O)CC4=CC=CC=C4)C

InChI

InChI=1S/C29H41N5O6S/c1-29(2,3)24-18-23(32(4)31-24)28(38)33-15-16-34(41(39,40)19-20-11-7-5-8-12-20)27(33)26(37)30-22(17-25(35)36)21-13-9-6-10-14-21/h5,7-8,11-12,18,21-22,27H,6,9-10,13-17,19H2,1-4H3,(H,30,37)(H,35,36)