3-cyclohexyl-3-[[1-[(3-methylphenyl)carbamoyl]-3-(5-nitrofuran-2-yl)carbonyl-imidazolidin-2-yl]carbonylamino]propanoic acid

Systemtic Name: 3-cyclohexyl-3-[[1-[(3-methylphenyl)carbamoyl]-3-(5-nitrofuran-2-yl)carbonyl-imidazolidin-2-yl]carbonylamino]propanoic acid Openeye Name: 3-cyclohexyl-3-[[1-(m-tolylcarbamoyl)-3-(5-nitrofuran-2-carbonyl)imidazolidine-2-carbonyl]amino]propanoic acid CAS Name: 3-cyclohexyl-3-[[[1-[(3-methylanilino)-oxomethyl]-3-[(5-nitro-2-furanyl)-oxomethyl]-2-imidazolidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-cyclohexyl-3-[[1-[(3-methylphenyl)carbamoyl]-3-(5-nitrofuran-2-carbonyl)imidazolidine-2-carbonyl]amino]propanoic acid Traditional Name: 3-cyclohexyl-3-[[1-(m-tolylcarbamoyl)-3-(5-nitro-2-furoyl)imidazolidine-2-carbonyl]amino]propionic acid Formula: C26H31N5O8 MolecularWeight: 541.55304

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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=C(O4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)N2CCN(C2C(=O)NC(CC(=O)O)C3CCCCC3)C(=O)C4=CC=C(O4)[N+](=O)[O-]

InChI

InChI=1S/C26H31N5O8/c1-16-6-5-9-18(14-16)27-26(36)30-13-12-29(25(35)20-10-11-21(39-20)31(37)38)24(30)23(34)28-19(15-22(32)33)17-7-3-2-4-8-17/h5-6,9-11,14,17,19,24H,2-4,7-8,12-13,15H2,1H3,(H,27,36)(H,28,34)(H,32,33)