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Molecular Formula: C87H114N36O45P8
Molecular weight: 2631.840348
InChi: InChI=1S/C87H114N36O45P8/c1-39-15-118(86(132)110-79(39)126)65-13-48(57(159-65)27-153-175(146,147)167-51-21-113(18-42(51)121-33-102-69-73(92)96-30-99-76(69)121)37-170(136,137)161-46-11-63(116-7-4-60(89)106-84(116)130)157-55(46)25-151-172(140,141)164-45-10-67(155-53(45)23-124)123-35-104-71-78(123)108-82(94)109-81(71)128)163-171(138,139)38-114-19-43(122-34-103-70-74(93)97-31-100-77(70)122)52(22-114)168-176(148,149)154-28-58-49(14-66(160-58)119-16-40(2)80(127)111-87(119)133)165-173(142,143)152-26-56-47(12-64(158-56)117-8-5-61(90)107-85(117)131)162-169(134,135)36-112-17-41(120-32-101-68-72(91)95-29-98-75(68)120)50(20-112)166-174(144,145)150-24-54-44(125)9-62(156-54)115-6-3-59(88)105-83(115)129/h3-8,15-16,29-35,41-58,62-67,124-125H,9-14,17-28,36-38H2,1-2H3,(H,134,135)(H,136,137)(H,138,139)(H,140,141)(H,142,143)(H,144,145)(H,146,147)(H,148,149)(H2,88,105,129)(H2,89,106,130)(H2,90,107,131)(H2,91,95,98)(H2,92,96,99)(H2,93,97,100)(H,110,126,132)(H,111,127,133)(H3,94,108,109,128)/t41-,42-,43-,44+,45+,46+,47+,48+,49+,50-,51-,52-,53-,54-,55-,56-,57-,58-,62-,63-,64-,65-,66-,67-/m1/s1
InChi Key: UFWLZLCVKRMMSB-HTBWFRKPSA-N
SMILES: [C@H]1(n2c3c(nc2)c(ncn3)N)[C@@H](CN(C1)CP(=O)(O[C@@H]1[C@H](O[C@H](C1)n1c(=O)[nH]c(=O)c(c1)C)COP(=O)(O[C@H]1[C@H](n2c3c(nc2)c(ncn3)N)CN(C1)CP(=O)(O[C@@H]1[C@H](O[C@H](C1)n1c(=O)nc(cc1)N)COP(=O)(O[C@@H]1[C@H](O[C@H](C1)n1c2c(nc1)c(=O)[nH]c(n2)N)CO)O)O)O)O)OP(=O)(OC[C@@H]1[C@H](C[C@@H](O1)n1c(=O)[nH]c(=O)c(c1)C)OP(=O)(OC[C@@H]1[C@H](C[C@@H](O1)n1c(=O)nc(cc1)N)OP(=O)(CN1C[C@H]([C@@H](C1)OP(=O)(OC[C@@H]1[C@H](C[C@@H](O1)n1c(=O)nc(cc1)N)O)O)n1c2c(nc1)c(ncn2)N)O)O)O
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