3-cyclohexyl-3-[[1-(4-methoxyphenyl)carbonyl-3-(phenylmethyl)sulfonyl-imidazolidin-2-yl]carbonylamino]propanoic acid

Systemtic Name: 3-cyclohexyl-3-[[1-(4-methoxyphenyl)carbonyl-3-(phenylmethyl)sulfonyl-imidazolidin-2-yl]carbonylamino]propanoic acid Openeye Name: 3-[[1-benzylsulfonyl-3-(4-methoxybenzoyl)imidazolidine-2-carbonyl]amino]-3-cyclohexyl-propanoic acid CAS Name: 3-cyclohexyl-3-[[[1-[(4-methoxyphenyl)-oxomethyl]-3-(phenylmethyl)sulfonyl-2-imidazolidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[1-benzylsulfonyl-3-(4-methoxybenzoyl)imidazolidine-2-carbonyl]amino]-3-cyclohexylpropanoic acid Traditional Name: 3-[(1-benzylsulfonyl-3-p-anisoyl-imidazolidine-2-carbonyl)amino]-3-cyclohexyl-propionic acid Formula: C28H35N3O7S MolecularWeight: 557.6584

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N2CCN(C2C(=O)NC(CC(=O)O)C3CCCCC3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N2CCN(C2C(=O)NC(CC(=O)O)C3CCCCC3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C28H35N3O7S/c1-38-23-14-12-22(13-15-23)28(35)30-16-17-31(39(36,37)19-20-8-4-2-5-9-20)27(30)26(34)29-24(18-25(32)33)21-10-6-3-7-11-21/h2,4-5,8-9,12-15,21,24,27H,3,6-7,10-11,16-19H2,1H3,(H,29,34)(H,32,33)