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

Systemtic Name: 3-cyclohexyl-3-[[1-[(3-methylphenyl)carbamoyl]-3-(phenylmethyl)sulfonyl-imidazolidin-2-yl]carbonylamino]propanoic acid Openeye Name: 3-[[1-benzylsulfonyl-3-(m-tolylcarbamoyl)imidazolidine-2-carbonyl]amino]-3-cyclohexyl-propanoic acid CAS Name: 3-cyclohexyl-3-[[[1-[(3-methylanilino)-oxomethyl]-3-(phenylmethyl)sulfonyl-2-imidazolidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[1-benzylsulfonyl-3-[(3-methylphenyl)carbamoyl]imidazolidine-2-carbonyl]amino]-3-cyclohexylpropanoic acid Traditional Name: 3-[[1-benzylsulfonyl-3-(m-tolylcarbamoyl)imidazolidine-2-carbonyl]amino]-3-cyclohexyl-propionic acid Formula: C28H36N4O6S MolecularWeight: 556.67364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)N2CCN(C2C(=O)NC(CC(=O)O)C3CCCCC3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)N2CCN(C2C(=O)NC(CC(=O)O)C3CCCCC3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C28H36N4O6S/c1-20-9-8-14-23(17-20)29-28(36)31-15-16-32(39(37,38)19-21-10-4-2-5-11-21)27(31)26(35)30-24(18-25(33)34)22-12-6-3-7-13-22/h2,4-5,8-11,14,17,22,24,27H,3,6-7,12-13,15-16,18-19H2,1H3,(H,29,36)(H,30,35)(H,33,34)