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

Systemtic Name: 3-cyclohexyl-3-[[1-phenoxycarbonyl-3-(phenylmethyl)sulfonyl-imidazolidin-2-yl]carbonylamino]propanoic acid Openeye Name: 3-[(1-benzylsulfonyl-3-phenoxycarbonyl-imidazolidine-2-carbonyl)amino]-3-cyclohexyl-propanoic acid CAS Name: 3-cyclohexyl-3-[[oxo-[1-[oxo(phenoxy)methyl]-3-(phenylmethyl)sulfonyl-2-imidazolidinyl]methyl]amino]propanoic acid IUPAC Name: 3-[(1-benzylsulfonyl-3-phenoxycarbonylimidazolidine-2-carbonyl)amino]-3-cyclohexylpropanoic acid Traditional Name: 3-[(1-benzylsulfonyl-3-carbophenoxy-imidazolidine-2-carbonyl)amino]-3-cyclohexyl-propionic acid Formula: C27H33N3O7S MolecularWeight: 543.63182

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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)OC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)C(CC(=O)O)NC(=O)C2N(CCN2S(=O)(=O)CC3=CC=CC=C3)C(=O)OC4=CC=CC=C4

InChI

InChI=1S/C27H33N3O7S/c31-24(32)18-23(21-12-6-2-7-13-21)28-25(33)26-29(27(34)37-22-14-8-3-9-15-22)16-17-30(26)38(35,36)19-20-10-4-1-5-11-20/h1,3-5,8-11,14-15,21,23,26H,2,6-7,12-13,16-19H2,(H,28,33)(H,31,32)