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

Systemtic Name: 3-[[1-cyclohexylcarbonyl-3-(3-methylphenyl)carbonyl-imidazolidin-2-yl]carbonylamino]-3-(3-nitrophenyl)propanoic acid Openeye Name: 3-[[1-(cyclohexanecarbonyl)-3-(3-methylbenzoyl)imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid CAS Name: 3-[[[1-[cyclohexyl(oxo)methyl]-3-[(3-methylphenyl)-oxomethyl]-2-imidazolidinyl]-oxomethyl]amino]-3-(3-nitrophenyl)propanoic acid IUPAC Name: 3-[[1-(cyclohexanecarbonyl)-3-(3-methylbenzoyl)imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid Traditional Name: 3-[[1-(cyclohexanecarbonyl)-3-m-toluoyl-imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)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)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C4CCCCC4

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCN(C2C(=O)NC(CC(=O)O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C4CCCCC4

InChI

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