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CAS 215510-22-8

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Formula:C104H158N32O26
InChI:InChI=1S/C104H158N32O26/c1-10-53(5)82(97(158)124-66(29-19-39-116-104(112)113)99(160)134-40-21-32-75(134)95(156)132-81(52(3)4)96(157)119-49-77(141)122-65(28-18-38-115-103(110)111)88(149)125-67(84(107)145)43-58-23-13-12-14-24-58)131-78(142)50-118-87(148)64(27-17-37-114-102(108)109)123-92(153)72(51-137)130-86(147)55(7)120-89(150)68(44-59-33-35-61(139)36-34-59)127-90(151)69(45-60-48-117-63-26-16-15-25-62(60)63)126-85(146)56(8)121-93(154)73-30-20-41-135(73)100(161)71(46-76(105)140)129-98(159)83(54(6)11-2)133-91(152)70(47-79(143)144)128-94(155)74-31-22-42-136(74)101(162)80(106)57(9)138/h12-16,23-26,33-36,48,52-57,64-75,80-83,117,137-139H,10-11,17-22,27-32,37-47,49-51,106H2,1-9H3,(H2,105,140)(H2,107,145)(H,118,148)(H,119,157)(H,120,150)(H,121,154)(H,122,141)(H,123,153)(H,124,158)(H,125,149)(H,126,146)(H,127,151)(H,128,155)(H,129,159)(H,130,147)(H,131,142)(H,132,156)(H,133,152)(H,143,144)(H4,108,109,114)(H4,110,111,115)(H4,112,113,116)/t53-,54-,55-,56-,57+,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,80-,81-,82-,83-/m0/s1
InChI key:CPYRNXJVNKJULS-FWGIIJIJSA-N
SMILES:CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H](C)NC(=O)[C@@H]6CCCN6C(=O)[C@H](CC(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]7CCCN7C(=O)[C@H]([C@@H](C)O)N
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