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CAS 1831010-13-9

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Formula:C85H140N26O36S
InChI:InChI=1S/C85H140N26O36S/c1-8-37(4)64(108-59(120)31-93-68(129)42(88)34-148)82(143)100-46(16-20-57(90)118)72(133)102-52(28-62(125)126)78(139)110-66(39(6)115)84(145)105-51(27-58(91)119)77(138)107-54(32-112)80(141)96-44(14-10-12-24-87)69(130)95-43(13-9-11-23-86)70(131)97-45(15-19-56(89)117)73(134)106-55(33-113)81(142)103-53(29-63(127)128)79(140)109-65(38(5)114)83(144)104-50(26-41-30-92-35-94-41)76(137)101-49(25-36(2)3)75(136)99-47(17-21-60(121)122)71(132)98-48(18-22-61(123)124)74(135)111-67(40(7)116)85(146)147/h30,35-40,42-55,64-67,112-116,148H,8-29,31-34,86-88H2,1-7H3,(H2,89,117)(H2,90,118)(H2,91,119)(H,92,94)(H,93,129)(H,95,130)(H,96,141)(H,97,131)(H,98,132)(H,99,136)(H,100,143)(H,101,137)(H,102,133)(H,103,142)(H,104,144)(H,105,145)(H,106,134)(H,107,138)(H,108,120)(H,109,140)(H,110,139)(H,111,135)(H,121,122)(H,123,124)(H,125,126)(H,127,128)(H,146,147)/t37-,38+,39+,40+,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,64-,65-,66-,67-/m0/s1
InChI key:JOCQKMMPKIWUAO-IHIIYLMDSA-N
SMILES:CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)O)NC(=O)CNC(=O)[C@H](CS)N
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