Công thức hóa học
										
										
											
																						C56H98N16O13																					
									 
																											
																		
									
																											
																		
									
										
											Monoisotopic mass 
										
										
											1202.749927302										
									 
																											
									
																		
									
										
											InChI 
										
										
											InChI=1S/C56H98N16O13/c1-7-32(4)13-11-12-16-44(75)63-36(17-23-57)51(80)72-46(34(6)74)56(85)68-39(20-26-60)48(77)67-41-22-28-62-55(84)45(33(5)73)71-52(81)40(21-27-61)65-47(76)37(18-24-58)66-53(82)42(29-31(2)3)69-54(83)43(30-35-14-9-8-10-15-35)70-49(78)38(19-25-59)64-50(41)79/h8-10,14-15,31-34,36-43,45-46,73-74H,7,11-13,16-30,57-61H2,1-6H3,(H,62,84)(H,63,75)(H,64,79)(H,65,76)(H,66,82)(H,67,77)(H,68,85)(H,69,83)(H,70,78)(H,71,81)(H,72,80)										
									 
																		
																		
										
											InChI Key 
										
										
											InChIKey=WQVJHHACXVLGBL-UHFFFAOYSA-N										
									 
																											
																		
										
											IUPAC Name 
										
										
											N-[3-amino-1-({1-[(3-amino-1-{[6,9,18-tris(2-aminoethyl)-15-benzyl-3-(1-hydroxyethyl)-12-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptaazacyclotricosan-21-yl]carbamoyl}propyl)carbamoyl]-2-hydroxypropyl}carbamoyl)propyl]-6-methyloctanamide										
									 
																											
																		
										
											Traditional IUPAC Name 
										
										
											N-[3-amino-1-({1-[(3-amino-1-{[6,9,18-tris(2-aminoethyl)-15-benzyl-3-(1-hydroxyethyl)-12-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptaazacyclotricosan-21-yl]carbamoyl}propyl)carbamoyl]-2-hydroxypropyl}carbamoyl)propyl]-6-methyloctanamide										
									 
																											
									
																		
										
											SMILES 
										
										
											CCC(C)CCCCC(=O)NC(CCN)C(=O)NC(C(C)O)C(=O)NC(CCN)C(=O)NC1CCNC(=O)C(NC(=O)C(CCN)NC(=O)C(CCN)NC(=O)C(CC(C)C)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CCN)NC1=O)C(C)O										
									 
																		
																		
									
																		
																		
																		
																											
																		
																											
																		
																											
																		
										
											pKa (strongest acidic) 
										
										
											11.57										
									 
																											
																		
										
											pKa (Strongest Basic) 
										
										
											10.23										
									 
																											
																		
																											
																		
										
											Refractivity 
										
										
											313.22 m3·mol-1