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

Systemtic Name: 3-[[1-(4-methylphenyl)carbonyl-3-morpholin-4-ylcarbonyl-imidazolidin-2-yl]carbonylamino]-3-(3-nitrophenyl)propanoic acid Openeye Name: 3-[[1-(4-methylbenzoyl)-3-(morpholine-4-carbonyl)imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid CAS Name: 3-[[[1-[(4-methylphenyl)-oxomethyl]-3-[4-morpholinyl(oxo)methyl]-2-imidazolidinyl]-oxomethyl]amino]-3-(3-nitrophenyl)propanoic acid IUPAC Name: 3-[[1-(4-methylbenzoyl)-3-(morpholine-4-carbonyl)imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid Traditional Name: 3-[[1-(morpholine-4-carbonyl)-3-p-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=C(C=C1)C(=O)N2CCN(C2C(=O)NC(CC(=O)O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)N4CCOCC4

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)N4CCOCC4

InChI

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