Compound 3

Benzyl(t-(bis(1-(4-(4-((3-((4-((3-aminopropyl)amino)butyl)amino)propyl)amino)-4-oxobutoxy)-5-methoxy-2-nitrophenyl)ethyl)-3,3'-((2-((3-(1-(4-(4-((3-((4-((3-aminopropyl)amino)butyl)amino)propyl)amino)-4-oxobutoxy)-5-methoxy-2-nitrophenyl)ethyloxy)-3-oxopropoxy)methyl)-2-(3-ethoxypropanamido)propane-1,3-diyl)bis(oxy))dipropanoate))carbamate

From: Self-assembly and optically triggered disassembly of hierarchical dendron–virus complexes

View in PubChem

Chemical formula: C267H470Cl27N49O80

Molecular weight: 6604.10

Elemental analysis: C, 48.56; H, 7.17; Cl, 14.49; N, 10.39; O, 19.38

Standard InChI=1S/C267H443N49O80.27ClH/c1-196(206-165-224(357-10)233(174-215(206)308(339)340)378-144-40-69-242(317)295-135-58-126-286-108-31-22-99-277-117-49-90-268)388-254(329)81-156-369-184-264(185-370-157-82-255(330)389-197(2)207-166-225(358-11)234(175-216(207)309(341)342)379-145-41-70-243(318)296-136-59-127-287-109-32-23-100-278-118-50-91-269,186-371-158-83-256(331)390-198(3)208-167-226(359-12)235(176-217(208)310(343)344)380-146-42-71-244(319)297-137-60-128-288-110-33-24-101-279-119-51-92-270)304-251(326)78-153-366-193-267(307-263(338)387-183-205-67-20-19-21-68-205,194-367-154-79-252(327)305-265(187-372-159-84-257(332)391-199(4)209-168-227(360-13)236(177-218(209)311(345)346)381-147-43-72-245(320)298-138-61-129-289-111-34-25-102-280-120-52-93-271,188-373-160-85-258(333)392-200(5)210-169-228(361-14)237(178-219(210)312(347)348)382-148-44-73-246(321)299-139-62-130-290-112-35-26-103-281-121-53-94-272)189-374-161-86-259(334)393-201(6)211-170-229(362-15)238(179-220(211)313(349)350)383-149-45-74-247(322)300-140-63-131-291-113-36-27-104-282-122-54-95-273)195-368-155-80-253(328)306-266(190-375-162-87-260(335)394-202(7)212-171-230(363-16)239(180-221(212)314(351)352)384-150-46-75-248(323)301-141-64-132-292-114-37-28-105-283-123-55-96-274,191-376-163-88-261(336)395-203(8)213-172-231(364-17)240(181-222(213)315(353)354)385-151-47-76-249(324)302-142-65-133-293-115-38-29-106-284-124-56-97-275)192-377-164-89-262(337)396-204(9)214-173-232(365-18)241(182-223(214)316(355)356)386-152-48-77-250(325)303-143-66-134-294-116-39-30-107-285-125-57-98-276;;;;;;;;;;;;;;;;;;;;;;;;;;;/h19-21,67-68,165-182,196-204,277-294H,22-66,69-164,183-195,268-276H2,1-18H3,(H,295,317)(H,296,318)(H,297,319)(H,298,320)(H,299,321)(H,300,322)(H,301,323)(H,302,324)(H,303,325)(H,304,326)(H,305,327)(H,306,328)(H,307,338);27*1H

Standard InChIKey: BZSREVOOSOUYDY-UHFFFAOYSA-N

SMILES: [NH3+]CCC[NH2+]CCCC[NH2+]CCCNC(CCCOC1=CC([N+]([O-])=O)=C(C(C)OC(CCOCC(COCCC(OC(C)C2=C([N+]([O-])=O)C=C(OCCCC(NCCC[NH2+]CCCC[NH2+]CCC[NH3+])=O)C(OC)=C2)=O)(COCCC(OC(C)C3=C([N+]([O-])=O)C=C(OCCCC(NCCC[NH2+]CCCC[NH2+]CCC[NH3+])=O)C(OC)=C3)=O)NC(CCOCC(COCCC(NC(COCCC(OC(C)C4=C([N+]([O-])=O)C=C(OCCCC(NCCC[NH2+]CCCC[NH2+]CCC[NH3+])=O)C(OC)=C4)=O)(COCCC(OC(C)C5=C([N+]([O-])=O)C=C(OCCCC(NCCC[NH2+]CCCC[NH2+]CCC[NH3+])=O)C(OC)=C5)=O)COCCC(OC(C)C6=C([N+]([O-])=O)C=C(OCCCC(NCCC[NH2+]CCCC[NH2+]CCC[NH3+])=O)C(OC)=C6)=O)=O)(COCCC(NC(COCCC(OC(C)C7=C([N+]([O-])=O)C=C(OCCCC(NCCC[NH2+]CCCC[NH2+]CCC[NH3+])=O)C(OC)=C7)=O)(COCCC(OC(C)C8=C([N+]([O-])=O)C=C(OCCCC(NCCC[NH2+]CCCC[NH2+]CCC[NH3+])=O)C(OC)=C8)=O)COCCC(OC(C)C9=C([N+]([O-])=O)C=C(OCCCC(NCCC[NH2+]CCCC[NH2+]CCC[NH3+])=O)C(OC)=C9)=O)=O)NC(OCC%10=CC=CC=C%10)=O)=O)=O)C=C1OC)=O.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-]