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Basic Information |
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Product Name: | GTI 2040 |
CAS: | 236391-66-5 |
English Synonyms: | GTI 2040 |
MDL Number.: | MFCD09837853 |
H bond acceptor: | 174 |
H bond donor: | 28 |
Smile: | Cc1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O[C@H]3C[C@@H](O[C@@H]3COP(=O)(O[C@H]4C[C@@H](O[C@@H]4COP(=O)(O[C@H]5C[C@@H](O[C@@H]5COP(=O)(O[C@H]6C[C@@H](O[C@@H]6COP(=O)(O[C@H]7C[C@@H](O[C@@H]7COP(=O)(O[C@H]8C[C@@H](O[C@@H]8COP(=O)(O[C@H]9C[C@@H](O[C@@H]9COP(=O)(O[C@H]1C[C@@H](O[C@@H]1CO)n1cnc2c1nc([nH]c2=O)N)S)n1cnc2c1ncnc2N)S)n1cnc2c1ncnc2N)S)n1ccc(nc1=O)N)S)n1ccc(nc1=O)N)S)n1cnc2c1nc([nH]c2=O)N)S)n1ccc(nc1=O)N)S)n1ccc(nc1=O)N)S)OP(=O)(OC[C@@H]1[C@H](C[C@@H](O1)n1ccc(nc1=O)N)OP(=O)(OC[C@@H]1[C@H](C[C@@H](O1)n1cnc2c1nc([nH]c2=O)N)OP(=O)(OC[C@@H]1[C@H](C[C@@H](O1)n1ccc(nc1=O)N)OP(=O)(OC[C@@H]1[C@H](C[C@@H](O1)n1cc(c(=O)[nH]c1=O)C)OP(=O)(OC[C@@H]1[C@H](C[C@@H](O1)n1cnc2c1ncnc2N)OP(=O)(OC[C@@H]1[C@H](C[C@@H](O1)n1cnc2c1N=CNC2N)OP(=O)(OC[C@@H]1[C@H](C[C@@H](O1)n1cnc2c1ncnc2N)OP(=O)(OC[C@@H]1[C@H](C[C@@H](O1)n1cc(c(=O)[nH]c1=O)C)OP(=O)(OC[C@@H]1[C@H](C[C@@H](O1)n1ccc(nc1=O)N)OP(=O)(OC[C@@H]1[C@H](C[C@@H](O1)n1cnc2c1nc([nH]c2=O)N)OP(=O)(OC[C@@H]1[C@H](C[C@@H](O1)n1cnc2c1nc([nH]c2=O)N)O)S)S)S)S)S)S)S)S)S)S)S |
InChi: | InChI=1S/C193H246N77O97P19S19/c1-76-38-258(191(288)248-171(76)273)134-27-88(108(338-134)50-319-372(295,391)352-83-22-129(253-13-6-121(196)233-186(253)283)331-101(83)43-312-370(293,389)351-82-21-128(252-12-5-120(195)232-185(252)282)336-106(82)48-317-381(304,400)366-97-36-144(269-74-229-154-169(269)241-182(209)246-177(154)279)347-117(97)59-327-375(298,394)354-85-24-131(255-15-8-123(198)235-188(255)285)332-102(85)44-313-371(294,390)350-81-20-127(251-11-4-119(194)231-184(251)281)335-105(81)47-316-380(303,399)361-92-31-138(262-67-222-147-157(202)212-62-217-162(147)262)343-113(92)55-323-384(307,403)363-91-30-137(261-66-221-146-156(201)211-61-216-161(146)261)341-111(91)53-311-369(292,388)349-80-19-142(329-99(80)41-271)267-72-227-152-167(267)239-180(207)244-175(152)277)357-377(300,396)314-46-104-87(26-133(334-104)257-17-10-125(200)237-190(257)287)356-376(299,395)328-60-118-98(37-145(348-118)270-75-230-155-170(270)242-183(210)247-178(155)280)367-382(305,401)318-49-107-84(23-130(337-107)254-14-7-122(197)234-187(254)284)353-373(296,392)320-51-109-90(29-136(339-109)260-40-78(3)173(275)250-193(260)290)359-379(302,398)322-54-112-94(33-140(342-112)264-69-224-149-159(204)214-64-219-164(149)264)364-385(308,404)325-57-115-95(34-141(345-115)265-70-225-150-160(205)215-65-220-165(150)265)365-386(309,405)324-56-114-93(32-139(344-114)263-68-223-148-158(203)213-63-218-163(148)263)362-383(306,402)321-52-110-89(28-135(340-110)259-39-77(2)172(274)249-192(259)289)358-378(301,397)315-45-103-86(25-132(333-103)256-16-9-124(199)236-189(256)286)355-374(297,393)326-58-116-96(35-143(346-116)268-73-228-153-168(268)240-181(208)245-176(153)278)360-368(291,387)310-42-100-79(272)18-126(330-100)266-71-226-151-166(266)238-179(206)243-174(151)276/h4-17,38-40,61-75,79-118,126-145,160,271-272H,18-37,41-60,205H2,1-3H3,(H,215,220)(H,291,387)(H,292,388)(H,293,389)(H,294,390)(H,295,391)(H,296,392)(H,297,393)(H,298,394)(H,299,395)(H,300,396)(H,301,397)(H,302,398)(H,303,399)(H,304,400)(H,305,401)(H,306,402)(H,307,403)(H,308,404)(H,309,405)(H2,194,231,281)(H2,195,232,282)(H2,196,233,283)(H2,197,234,284)(H2,198,235,285)(H2,199,236,286)(H2,200,237,287)(H2,201,211,216)(H2,202,212,217)(H2,203,213,218)(H2,204,214,219)(H,248,273,288)(H,249,274,289)(H,250,275,290)(H3,206,238,243,276)(H3,207,239,244,277)(H3,208,240,245,278)(H3,209,241,246,279)(H3,210,242,247,280)/t79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99+,100+,101+,102+,103+,104+,105+,106+,107+,108+,109+,110+,111+,112+,113+,114+,115+,116+,117+,118+,126+,127+,128+,129+,130+,131+,132+,133+,134+,135+,136+,137+,138+,139+,140+,141+,142+,143+,144+,145+,160?,368?,369?,370?,371?,372?,373?,374?,375?,376?,377?,378?,379?,380?,381?,382?,383?,384?,385?,386?/m0/s1 |
InChiKey: | InChIKey=NNBBHJDYENGRLV-SXDHBILRSA-N |
* If the product has intellectual property rights, a license granted is must or contact us.