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

Systemtic Name: 3-[[1-cyclohexylcarbonyl-3-(4-methylphenyl)carbonyl-imidazolidin-2-yl]carbonylamino]-3-(3-nitrophenyl)propanoic acid Openeye Name: 3-[[1-(cyclohexanecarbonyl)-3-(4-methylbenzoyl)imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid CAS Name: 3-[[[1-[cyclohexyl(oxo)methyl]-3-[(4-methylphenyl)-oxomethyl]-2-imidazolidinyl]-oxomethyl]amino]-3-(3-nitrophenyl)propanoic acid IUPAC Name: 3-[[1-(cyclohexanecarbonyl)-3-(4-methylbenzoyl)imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid Traditional Name: 3-[[1-(cyclohexanecarbonyl)-3-p-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=C(C=C1)C(=O)N2CCN(C2C(=O)NC(CC(=O)O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C4CCCCC4

Isomeric SMILES

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

InChI

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