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

Systemtic Name: 4-[4-[1-[(2R)-3-[4-azanyl-3,5-bis(bromanyl)phenyl]-2-[[4-(2-oxidanylidene-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]carbonylamino]propanoyl]piperidin-4-yl]piperidin-1-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[1-[(2R)-3-(4-amino-3,5-dibromo-phenyl)-2-[[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carbonyl]amino]propanoyl]-4-piperidyl]-1-piperidyl]-4-oxo-butanoic acid CAS Name: 4-[4-[1-[(2R)-3-(4-amino-3,5-dibromophenyl)-1-oxo-2-[[oxo-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)-1-piperidinyl]methyl]amino]propyl]-4-piperidinyl]-1-piperidinyl]-4-oxobutanoic acid IUPAC Name: 4-[4-[1-[(2R)-3-(4-amino-3,5-dibromophenyl)-2-[[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carbonyl]amino]propanoyl]piperidin-4-yl]piperidin-1-yl]-4-oxobutanoic acid Traditional Name: 4-[4-[1-[(2R)-3-(4-amino-3,5-dibromo-phenyl)-2-[[4-(2-keto-1,4-dihydroquinazolin-3-yl)piperidine-1-carbonyl]amino]propanoyl]-4-piperidyl]piperidino]-4-keto-butyric acid Formula: C37H47Br2N7O6 MolecularWeight: 845.62038

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2CCN(CC2)C(=O)C(CC3=CC(=C(C(=C3)Br)N)Br)NC(=O)N4CCC(CC4)N5CC6=CC=CC=C6NC5=O)C(=O)CCC(=O)O

Isomeric SMILES

C1CN(CCC1C2CCN(CC2)C(=O)[C@@H](CC3=CC(=C(C(=C3)Br)N)Br)NC(=O)N4CCC(CC4)N5CC6=CC=CC=C6NC5=O)C(=O)CCC(=O)O

InChI

InChI=1S/C37H47Br2N7O6/c38-28-19-23(20-29(39)34(28)40)21-31(35(50)44-15-9-25(10-16-44)24-7-13-43(14-8-24)32(47)5-6-33(48)49)42-36(51)45-17-11-27(12-18-45)46-22-26-3-1-2-4-30(26)41-37(46)52/h1-4,19-20,24-25,27,31H,5-18,21-22,40H2,(H,41,52)(H,42,51)(H,48,49)/t31-/m1/s1