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

Systemtic Name: 3-cyclohexyl-3-[[1-[(3-methylphenyl)carbamoyl]-3-(3-nitrophenyl)carbonyl-imidazolidin-2-yl]carbonylamino]propanoic acid Openeye Name: 3-cyclohexyl-3-[[1-(m-tolylcarbamoyl)-3-(3-nitrobenzoyl)imidazolidine-2-carbonyl]amino]propanoic acid CAS Name: 3-cyclohexyl-3-[[[1-[(3-methylanilino)-oxomethyl]-3-[(3-nitrophenyl)-oxomethyl]-2-imidazolidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-cyclohexyl-3-[[1-[(3-methylphenyl)carbamoyl]-3-(3-nitrobenzoyl)imidazolidine-2-carbonyl]amino]propanoic acid Traditional Name: 3-cyclohexyl-3-[[1-(m-tolylcarbamoyl)-3-(3-nitrobenzoyl)imidazolidine-2-carbonyl]amino]propionic acid Formula: C28H33N5O7 MolecularWeight: 551.59092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H33N5O7/c1-18-7-5-11-21(15-18)29-28(38)32-14-13-31(27(37)20-10-6-12-22(16-20)33(39)40)26(32)25(36)30-23(17-24(34)35)19-8-3-2-4-9-19/h5-7,10-12,15-16,19,23,26H,2-4,8-9,13-14,17H2,1H3,(H,29,38)(H,30,36)(H,34,35)