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

Systemtic Name: 3-[[1-cyclopentylcarbonyl-3-(4-methylphenyl)carbonyl-imidazolidin-2-yl]carbonylamino]-3-(3-nitrophenyl)propanoic acid Openeye Name: 3-[[1-(cyclopentanecarbonyl)-3-(4-methylbenzoyl)imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid CAS Name: 3-[[[1-[cyclopentyl(oxo)methyl]-3-[(4-methylphenyl)-oxomethyl]-2-imidazolidinyl]-oxomethyl]amino]-3-(3-nitrophenyl)propanoic acid IUPAC Name: 3-[[1-(cyclopentanecarbonyl)-3-(4-methylbenzoyl)imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid Traditional Name: 3-[[1-(cyclopentanecarbonyl)-3-p-toluoyl-imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propionic acid Formula: C27H30N4O7 MolecularWeight: 522.5497

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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)C4CCCC4

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)C4CCCC4

InChI

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