basic_info |
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Product_Name: | AC S G I V Q Q Q N N L L R A I E A Q Q H L L Q L T V W G I K Q L Q A R I L NH2 |
EnglishSynonyms: | N36, HR1, GP41 HIV FRAGMENT ; AC S G I V Q Q Q N N L L R A I E A Q Q H L L Q L T V W G I K Q L Q A R I L NH2 |
pro_mdlNumber: | MFCD22125261 |
pro_acceptors: | 108 |
pro_donors: | 59 |
pro_smile: | CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc3c[nH]cn3)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)CNC(=O)[C@H](CO)NC(=O)C |
InChi: | InChI=1S/C186H313N57O51/c1-32-94(23)146(180(290)223-107(44-38-39-65-187)160(270)217-113(50-59-134(191)250)164(274)227-120(69-86(7)8)170(280)221-110(47-56-131(188)247)158(268)210-98(27)152(262)214-109(46-41-67-205-186(201)202)168(278)242-149(97(26)35-4)182(292)226-119(151(198)261)68-85(5)6)237-141(257)81-207-155(265)126(75-103-79-206-106-43-37-36-42-105(103)106)236-179(289)145(93(21)22)240-184(294)150(101(30)245)243-177(287)125(74-91(17)18)228-165(275)116(53-62-137(194)253)222-171(281)122(71-88(11)12)230-172(282)123(72-89(13)14)231-174(284)127(76-104-80-203-84-209-104)233-166(276)114(51-60-135(192)251)219-161(271)111(48-57-132(189)248)215-153(263)99(28)211-159(269)118(55-64-143(259)260)225-181(291)148(96(25)34-3)241-154(264)100(29)212-157(267)108(45-40-66-204-185(199)200)216-169(279)121(70-87(9)10)229-173(283)124(73-90(15)16)232-175(285)129(78-140(197)256)235-176(286)128(77-139(196)255)234-167(277)115(52-61-136(193)252)220-162(272)112(49-58-133(190)249)218-163(273)117(54-63-138(195)254)224-178(288)144(92(19)20)239-183(293)147(95(24)33-2)238-142(258)82-208-156(266)130(83-244)213-102(31)246/h36-37,42-43,79-80,84-101,107-130,144-150,206,244-245H,32-35,38-41,44-78,81-83,187H2,1-31H3,(H2,188,247)(H2,189,248)(H2,190,249)(H2,191,250)(H2,192,251)(H2,193,252)(H2,194,253)(H2,195,254)(H2,196,255)(H2,197,256)(H2,198,261)(H,203,209)(H,207,265)(H,208,266)(H,210,268)(H,211,269)(H,212,267)(H,213,246)(H,214,262)(H,215,263)(H,216,279)(H,217,270)(H,218,273)(H,219,271)(H,220,272)(H,221,280)(H,222,281)(H,223,290)(H,224,288)(H,225,291)(H,226,292)(H,227,274)(H,228,275)(H,229,283)(H,230,282)(H,231,284)(H,232,285)(H,233,276)(H,234,277)(H,235,286)(H,236,289)(H,237,257)(H,238,258)(H,239,293)(H,240,294)(H,241,264)(H,242,278)(H,243,287)(H,259,260)(H4,199,200,204)(H4,201,202,205)/t94-,95-,96-,97-,98-,99-,100-,101+,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,144-,145-,146-,147-,148-,149-,150-/m0/s1 |
InChiKey: | InChIKey=KDOVJDKRUDFLTH-ZRVPVSKGSA-N |
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