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

Systemtic Name: 3-cyclohexyl-3-[[1-cyclohexylcarbonyl-3-(phenylmethyl)sulfonyl-imidazolidin-2-yl]carbonylamino]propanoic acid Openeye Name: 3-[[1-benzylsulfonyl-3-(cyclohexanecarbonyl)imidazolidine-2-carbonyl]amino]-3-cyclohexyl-propanoic acid CAS Name: 3-cyclohexyl-3-[[[1-[cyclohexyl(oxo)methyl]-3-(phenylmethyl)sulfonyl-2-imidazolidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[1-benzylsulfonyl-3-(cyclohexanecarbonyl)imidazolidine-2-carbonyl]amino]-3-cyclohexylpropanoic acid Traditional Name: 3-[[1-benzylsulfonyl-3-(cyclohexanecarbonyl)imidazolidine-2-carbonyl]amino]-3-cyclohexyl-propionic acid Formula: C27H39N3O6S MolecularWeight: 533.68006

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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)C4CCCCC4

Isomeric SMILES

C1CCC(CC1)C(CC(=O)O)NC(=O)C2N(CCN2S(=O)(=O)CC3=CC=CC=C3)C(=O)C4CCCCC4

InChI

InChI=1S/C27H39N3O6S/c31-24(32)18-23(21-12-6-2-7-13-21)28-25(33)26-29(27(34)22-14-8-3-9-15-22)16-17-30(26)37(35,36)19-20-10-4-1-5-11-20/h1,4-5,10-11,21-23,26H,2-3,6-9,12-19H2,(H,28,33)(H,31,32)