3-[[1-(4-bromophenyl)carbonyl-3-[(3-fluorophenyl)carbamoyl]imidazolidin-2-yl]carbonylamino]-3-cyclohexyl-propanoic acid

Systemtic Name: 3-[[1-(4-bromophenyl)carbonyl-3-[(3-fluorophenyl)carbamoyl]imidazolidin-2-yl]carbonylamino]-3-cyclohexyl-propanoic acid Openeye Name: 3-[[1-(4-bromobenzoyl)-3-[(3-fluorophenyl)carbamoyl]imidazolidine-2-carbonyl]amino]-3-cyclohexyl-propanoic acid CAS Name: 3-[[[1-[(4-bromophenyl)-oxomethyl]-3-[(3-fluoroanilino)-oxomethyl]-2-imidazolidinyl]-oxomethyl]amino]-3-cyclohexylpropanoic acid IUPAC Name: 3-[[1-(4-bromobenzoyl)-3-[(3-fluorophenyl)carbamoyl]imidazolidine-2-carbonyl]amino]-3-cyclohexylpropanoic acid Traditional Name: 3-[[1-(4-bromobenzoyl)-3-[(3-fluorophenyl)carbamoyl]imidazolidine-2-carbonyl]amino]-3-cyclohexyl-propionic acid Formula: C27H30BrFN4O5 MolecularWeight: 589.453303

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(CC(=O)O)NC(=O)C2N(CCN2C(=O)NC3=CC(=CC=C3)F)C(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CCC(CC1)C(CC(=O)O)NC(=O)C2N(CCN2C(=O)NC3=CC(=CC=C3)F)C(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C27H30BrFN4O5/c28-19-11-9-18(10-12-19)26(37)32-13-14-33(27(38)30-21-8-4-7-20(29)15-21)25(32)24(36)31-22(16-23(34)35)17-5-2-1-3-6-17/h4,7-12,15,17,22,25H,1-3,5-6,13-14,16H2,(H,30,38)(H,31,36)(H,34,35)