3-cyclohexyl-3-[[1-(3-methylphenyl)carbonyl-3-(4-nitrophenyl)carbonyl-imidazolidin-2-yl]carbonylamino]propanoic acid

Systemtic Name: 3-cyclohexyl-3-[[1-(3-methylphenyl)carbonyl-3-(4-nitrophenyl)carbonyl-imidazolidin-2-yl]carbonylamino]propanoic acid Openeye Name: 3-cyclohexyl-3-[[1-(3-methylbenzoyl)-3-(4-nitrobenzoyl)imidazolidine-2-carbonyl]amino]propanoic acid CAS Name: 3-cyclohexyl-3-[[[1-[(3-methylphenyl)-oxomethyl]-3-[(4-nitrophenyl)-oxomethyl]-2-imidazolidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-cyclohexyl-3-[[1-(3-methylbenzoyl)-3-(4-nitrobenzoyl)imidazolidine-2-carbonyl]amino]propanoic acid Traditional Name: 3-cyclohexyl-3-[[1-m-toluoyl-3-(4-nitrobenzoyl)imidazolidine-2-carbonyl]amino]propionic acid Formula: C28H32N4O7 MolecularWeight: 536.57628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CCN(C2C(=O)NC(CC(=O)O)C3CCCCC3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCN(C2C(=O)NC(CC(=O)O)C3CCCCC3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C28H32N4O7/c1-18-6-5-9-21(16-18)28(37)31-15-14-30(27(36)20-10-12-22(13-11-20)32(38)39)26(31)25(35)29-23(17-24(33)34)19-7-3-2-4-8-19/h5-6,9-13,16,19,23,26H,2-4,7-8,14-15,17H2,1H3,(H,29,35)(H,33,34)