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

Systemtic Name: 3-[[1-cyclopentylcarbonyl-3-(3-methylphenyl)carbonyl-imidazolidin-2-yl]carbonylamino]-3-(3-nitrophenyl)propanoic acid Openeye Name: 3-[[1-(cyclopentanecarbonyl)-3-(3-methylbenzoyl)imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid CAS Name: 3-[[[1-[cyclopentyl(oxo)methyl]-3-[(3-methylphenyl)-oxomethyl]-2-imidazolidinyl]-oxomethyl]amino]-3-(3-nitrophenyl)propanoic acid IUPAC Name: 3-[[1-(cyclopentanecarbonyl)-3-(3-methylbenzoyl)imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid Traditional Name: 3-[[1-(cyclopentanecarbonyl)-3-m-toluoyl-imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propionic acid Formula: C27H30N4O7 MolecularWeight: 522.5497

Click to see the large picture

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)C4CCCC4

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCN(C2C(=O)NC(CC(=O)O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C4CCCC4

InChI

InChI=1S/C27H30N4O7/c1-17-6-4-10-20(14-17)27(36)30-13-12-29(26(35)18-7-2-3-8-18)25(30)24(34)28-22(16-23(32)33)19-9-5-11-21(15-19)31(37)38/h4-6,9-11,14-15,18,22,25H,2-3,7-8,12-13,16H2,1H3,(H,28,34)(H,32,33)