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

Systemtic Name: 3-cyclohexyl-3-[[1-(3-cyclopentylpropanoyl)-3-(phenylmethyl)sulfonyl-imidazolidin-2-yl]carbonylamino]propanoic acid Openeye Name: 3-[[1-benzylsulfonyl-3-(3-cyclopentylpropanoyl)imidazolidine-2-carbonyl]amino]-3-cyclohexyl-propanoic acid CAS Name: 3-cyclohexyl-3-[[[1-(3-cyclopentyl-1-oxopropyl)-3-(phenylmethyl)sulfonyl-2-imidazolidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[1-benzylsulfonyl-3-(3-cyclopentylpropanoyl)imidazolidine-2-carbonyl]amino]-3-cyclohexylpropanoic acid Traditional Name: 3-[[1-benzylsulfonyl-3-(3-cyclopentylpropanoyl)imidazolidine-2-carbonyl]amino]-3-cyclohexyl-propionic acid Formula: C28H41N3O6S MolecularWeight: 547.70664

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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)CCC4CCCC4

Isomeric SMILES

C1CCC(CC1)C(CC(=O)O)NC(=O)C2N(CCN2S(=O)(=O)CC3=CC=CC=C3)C(=O)CCC4CCCC4

InChI

InChI=1S/C28H41N3O6S/c32-25(16-15-21-9-7-8-10-21)30-17-18-31(38(36,37)20-22-11-3-1-4-12-22)28(30)27(35)29-24(19-26(33)34)23-13-5-2-6-14-23/h1,3-4,11-12,21,23-24,28H,2,5-10,13-20H2,(H,29,35)(H,33,34)