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Molecular Formula: C78H77N17O9
Molecular weight: 1396.55448
InChi: InChI=1S/C76H72N16O8.C2H3N.H2O/c93-69-77(41-53-25-9-1-10-26-53)61-62(78(69)42-54-27-11-2-12-28-54)86-50-88-65-66(82(46-58-35-19-6-20-36-58)71(95)81(65)45-57-33-17-5-18-34-57)90(75(88)99)52-92-68-67(83(47-59-37-21-7-22-38-59)72(96)84(68)48-60-39-23-8-24-40-60)91(76(92)100)51-89-64-63(87(74(89)98)49-85(61)73(86)97)79(43-55-29-13-3-14-30-55)70(94)80(64)44-56-31-15-4-16-32-56;1-2-3;/h1-40,61-68H,41-52H2;1H3;1H2
InChi Key: XBEGPSWIEHAZQS-UHFFFAOYSA-N
SMILES: C(#N)C.C12C(N3C(=O)N1CN1C4C(N(C1=O)CN1C5C(N(CN6C(=O)N(C3)C3C6N(C(=O)N3Cc3ccccc3)Cc3ccccc3)C1=O)N(C(=O)N5Cc1ccccc1)Cc1ccccc1)N(C(=O)N4Cc1ccccc1)Cc1ccccc1)N(C(=O)N2Cc1ccccc1)Cc1ccccc1.O
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