(2R)-3-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-2-[[4-(2-oxidanylidene-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]carbonylamino]propanoic acid

Systemtic Name: (2R)-3-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-2-[[4-(2-oxidanylidene-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]carbonylamino]propanoic acid Openeye Name: (2R)-3-(3,5-dibromo-4-hydroxy-phenyl)-2-[[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carbonyl]amino]propanoic acid CAS Name: (2R)-3-(3,5-dibromo-4-hydroxyphenyl)-2-[[oxo-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)-1-piperidinyl]methyl]amino]propanoic acid IUPAC Name: (2R)-3-(3,5-dibromo-4-hydroxyphenyl)-2-[[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carbonyl]amino]propanoic acid Traditional Name: (2R)-3-(3,5-dibromo-4-hydroxy-phenyl)-2-[[4-(2-keto-1,4-dihydroquinazolin-3-yl)piperidine-1-carbonyl]amino]propionic acid Formula: C23H24Br2N4O5 MolecularWeight: 596.26846

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CC3=CC=CC=C3NC2=O)C(=O)NC(CC4=CC(=C(C(=C4)Br)O)Br)C(=O)O

Isomeric SMILES

C1CN(CCC1N2CC3=CC=CC=C3NC2=O)C(=O)N[C@H](CC4=CC(=C(C(=C4)Br)O)Br)C(=O)O

InChI

InChI=1S/C23H24Br2N4O5/c24-16-9-13(10-17(25)20(16)30)11-19(21(31)32)27-22(33)28-7-5-15(6-8-28)29-12-14-3-1-2-4-18(14)26-23(29)34/h1-4,9-10,15,19,30H,5-8,11-12H2,(H,26,34)(H,27,33)(H,31,32)/t19-/m1/s1