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

Systemtic Name: 3-[[1-cyclopentylcarbonyl-3-(3-methoxyphenyl)carbonyl-imidazolidin-2-yl]carbonylamino]-3-(3-nitrophenyl)propanoic acid Openeye Name: 3-[[1-(cyclopentanecarbonyl)-3-(3-methoxybenzoyl)imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid CAS Name: 3-[[[1-[cyclopentyl(oxo)methyl]-3-[(3-methoxyphenyl)-oxomethyl]-2-imidazolidinyl]-oxomethyl]amino]-3-(3-nitrophenyl)propanoic acid IUPAC Name: 3-[[1-(cyclopentanecarbonyl)-3-(3-methoxybenzoyl)imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid Traditional Name: 3-[[1-(cyclopentanecarbonyl)-3-m-anisoyl-imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propionic acid Formula: C27H30N4O8 MolecularWeight: 538.5491

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CCN(C2C(=O)NC(CC(=O)O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C4CCCC4

Isomeric SMILES

COC1=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/C27H30N4O8/c1-39-21-11-5-9-19(15-21)27(36)30-13-12-29(26(35)17-6-2-3-7-17)25(30)24(34)28-22(16-23(32)33)18-8-4-10-20(14-18)31(37)38/h4-5,8-11,14-15,17,22,25H,2-3,6-7,12-13,16H2,1H3,(H,28,34)(H,32,33)