Anti-hiv pna

Structural Information

Molecular Formula

C₂₀₅H₂₇₇N₁₀₇O₄₉

SMILES

CC1=CN(C(=O)NC1=O)CC(=O)N(CCN)CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)O)C(=O)CN3C=NC4=C3N=C(NC4=O)N)C(=O)CN5C=NC6=C5N=C(NC6=O)N)C(=O)CN7C=NC8=C(N=CN=C87)N)C(=O)CN9C=NC1=C(N=CN=C19)N)C(=O)CN1C=NC2=C(N=CN=C21)N)C(=O)CN1C=NC2=C(N=CN=C21)N)C(=O)CN1C=NC2=C1N=C(NC2=O)N)C(=O)CN1C=NC2=C(N=CN=C21)N)C(=O)CN1C=NC2=C(N=CN=C21)N)C(=O)CN1C=NC2=C(N=CN=C21)N)C(=O)CN1C=NC2=C(N=CN=C21)N)C(=O)CN1C=C(C(=O)NC1=O)C)C(=O)CN1C=C(C(=O)NC1=O)C)C(=O)CN1C=C(C(=O)NC1=O)C

InChI

InChI=1S/C205H277N107O49/c1-112(2)153(197(356)357)271-192(351)120(20-10-14-26-209)268-191(350)121(21-15-28-238-198(219)220)269-189(348)118(18-8-12-24-207)266-188(347)117(17-7-11-23-206)267-190(349)119(19-9-13-25-208)270-193(352)122-22-16-43-312(122)152(342)92-296(151(341)91-311-111-265-164-183(311)274-201(223)277-196(164)355)58-42-237-136(326)76-295(150(340)90-310-110-264-163-182(310)273-200(222)276-195(163)354)57-41-236-134(324)74-292(147(337)87-307-107-261-160-171(217)245-99-253-179(160)307)54-38-233-131(321)71-289(144(334)84-304-104-258-157-168(214)242-96-250-176(157)304)51-35-230-129(319)69-290(145(335)85-305-105-259-158-169(215)243-97-251-177(158)305)52-36-231-132(322)72-293(148(338)88-308-108-262-161-172(218)246-100-254-180(161)308)55-39-234-135(325)75-294(149(339)89-309-109-263-162-181(309)272-199(221)275-194(162)353)56-40-235-133(323)73-291(146(336)86-306-106-260-159-170(216)244-98-252-178(159)306)53-37-232-130(320)70-288(143(333)83-303-103-257-156-167(213)241-95-249-175(156)303)50-34-229-128(318)68-287(142(332)82-302-102-256-155-166(212)240-94-248-174(155)302)49-33-228-127(317)67-286(141(331)81-301-101-255-154-165(211)239-93-247-173(154)301)48-32-227-126(316)66-285(140(330)80-300-62-116(6)187(346)281-205(300)361)47-31-226-125(315)65-284(139(329)79-299-61-115(5)186(345)280-204(299)360)46-30-225-124(314)64-283(138(328)78-298-60-114(4)185(344)279-203(298)359)45-29-224-123(313)63-282(44-27-210)137(327)77-297-59-113(3)184(343)278-202(297)358/h59-62,93-112,117-122,153H,7-58,63-92,206-210H2,1-6H3,(H,224,313)(H,225,314)(H,226,315)(H,227,316)(H,228,317)(H,229,318)(H,230,319)(H,231,322)(H,232,320)(H,233,321)(H,234,325)(H,235,323)(H,236,324)(H,237,326)(H,266,347)(H,267,349)(H,268,350)(H,269,348)(H,270,352)(H,271,351)(H,356,357)(H2,211,239,247)(H2,212,240,248)(H2,213,241,249)(H2,214,242,250)(H2,215,243,251)(H2,216,244,252)(H2,217,245,253)(H2,218,246,254)(H4,219,220,238)(H,278,343,358)(H,279,344,359)(H,280,345,360)(H,281,346,361)(H3,221,272,275,353)(H3,222,273,276,354)(H3,223,274,277,355)/t117-,118-,119-,120-,121-,122-,153-/m0/s1

InChIKey

CLLCVDWVICCCQQ-KNTXWFECSA-N

Compound name

(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-1-[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-aminoethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(6-aminopurin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(6-aminopurin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(6-aminopurin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(6-aminopurin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(6-aminopurin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(6-aminopurin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(6-aminopurin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(6-aminopurin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]-3-methylbutanoic acid

Related CIDs

• CID 16133668