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

Systemtic Name: 3-(4-fluorophenyl)-3-[[1-(4-methylphenyl)carbonyl-3-phenylmethoxycarbonyl-imidazolidin-2-yl]carbonylamino]propanoic acid Openeye Name: 3-[[1-benzyloxycarbonyl-3-(4-methylbenzoyl)imidazolidine-2-carbonyl]amino]-3-(4-fluorophenyl)propanoic acid CAS Name: 3-(4-fluorophenyl)-3-[[[1-[(4-methylphenyl)-oxomethyl]-3-phenylmethoxycarbonyl-2-imidazolidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-(4-fluorophenyl)-3-[[1-(4-methylbenzoyl)-3-phenylmethoxycarbonylimidazolidine-2-carbonyl]amino]propanoic acid Traditional Name: 3-[(1-carbobenzoxy-3-p-toluoyl-imidazolidine-2-carbonyl)amino]-3-(4-fluorophenyl)propionic acid Formula: C29H28FN3O6 MolecularWeight: 533.547523

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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=C(C=C3)F)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCN(C2C(=O)NC(CC(=O)O)C3=CC=C(C=C3)F)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C29H28FN3O6/c1-19-7-9-22(10-8-19)28(37)32-15-16-33(29(38)39-18-20-5-3-2-4-6-20)27(32)26(36)31-24(17-25(34)35)21-11-13-23(30)14-12-21/h2-14,24,27H,15-18H2,1H3,(H,31,36)(H,34,35)