ethyl 2-[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]ethanoate

Systemtic Name: ethyl 2-[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]ethanoate Openeye Name: ethyl 2-[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]acetate CAS Name: 2-[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]acetic acid ethyl ester IUPAC Name: ethyl 2-[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]acetate Traditional Name: 2-[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]acetic acid ethyl ester Formula: C37H49Br2N7O5 MolecularWeight: 831.63686

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CCC(CC1)C2CCN(CC2)C(=O)C(CC3=CC(=C(C(=C3)Br)N)Br)NC(=O)N4CCC(CC4)N5CC6=CC=CC=C6NC5=O

Isomeric SMILES

CCOC(=O)CN1CCC(CC1)C2CCN(CC2)C(=O)[C@@H](CC3=CC(=C(C(=C3)Br)N)Br)NC(=O)N4CCC(CC4)N5CC6=CC=CC=C6NC5=O

InChI

InChI=1S/C37H49Br2N7O5/c1-2-51-33(47)23-43-13-7-25(8-14-43)26-9-15-44(16-10-26)35(48)32(21-24-19-29(38)34(40)30(39)20-24)42-36(49)45-17-11-28(12-18-45)46-22-27-5-3-4-6-31(27)41-37(46)50/h3-6,19-20,25-26,28,32H,2,7-18,21-23,40H2,1H3,(H,41,50)(H,42,49)/t32-/m1/s1