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

Systemtic Name: 3-(4-fluorophenyl)-3-[[1-(3-methoxyphenyl)carbonyl-3-phenylmethoxycarbonyl-imidazolidin-2-yl]carbonylamino]propanoic acid Openeye Name: 3-[[1-benzyloxycarbonyl-3-(3-methoxybenzoyl)imidazolidine-2-carbonyl]amino]-3-(4-fluorophenyl)propanoic acid CAS Name: 3-(4-fluorophenyl)-3-[[[1-[(3-methoxyphenyl)-oxomethyl]-3-phenylmethoxycarbonyl-2-imidazolidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-(4-fluorophenyl)-3-[[1-(3-methoxybenzoyl)-3-phenylmethoxycarbonylimidazolidine-2-carbonyl]amino]propanoic acid Traditional Name: 3-[(1-carbobenzoxy-3-m-anisoyl-imidazolidine-2-carbonyl)amino]-3-(4-fluorophenyl)propionic acid Formula: C29H28FN3O7 MolecularWeight: 549.546923

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

Isomeric SMILES

COC1=CC=CC(=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/C29H28FN3O7/c1-39-23-9-5-8-21(16-23)28(37)32-14-15-33(29(38)40-18-19-6-3-2-4-7-19)27(32)26(36)31-24(17-25(34)35)20-10-12-22(30)13-11-20/h2-13,16,24,27H,14-15,17-18H2,1H3,(H,31,36)(H,34,35)