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

Systemtic Name: 3-[[1-(3-methylphenyl)carbonyl-3-morpholin-4-ylcarbonyl-imidazolidin-2-yl]carbonylamino]-3-(3-nitrophenyl)propanoic acid Openeye Name: 3-[[1-(3-methylbenzoyl)-3-(morpholine-4-carbonyl)imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid CAS Name: 3-[[[1-[(3-methylphenyl)-oxomethyl]-3-[4-morpholinyl(oxo)methyl]-2-imidazolidinyl]-oxomethyl]amino]-3-(3-nitrophenyl)propanoic acid IUPAC Name: 3-[[1-(3-methylbenzoyl)-3-(morpholine-4-carbonyl)imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid Traditional Name: 3-[[1-(morpholine-4-carbonyl)-3-m-toluoyl-imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propionic acid Formula: C26H29N5O8 MolecularWeight: 539.53716

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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)N4CCOCC4

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCN(C2C(=O)NC(CC(=O)O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)N4CCOCC4

InChI

InChI=1S/C26H29N5O8/c1-17-4-2-6-19(14-17)25(35)29-8-9-30(26(36)28-10-12-39-13-11-28)24(29)23(34)27-21(16-22(32)33)18-5-3-7-20(15-18)31(37)38/h2-7,14-15,21,24H,8-13,16H2,1H3,(H,27,34)(H,32,33)