Molecular Formula: C98H145F3N16O14S4
Molecular weight: 1956.5539096
InChi: InChI=1S/C96H144N16O12S4.C2HF3O2/c1-93(2,3)63-49-73-81(113)74(50-63)126-78-54-66(96(10,11)12)56-80(84(78)124-58-60-33-37-62(38-34-60)86(116)108-46-48-110-92(122)72(112-90(120)70(104)28-16-22-42-100)30-18-24-44-106-88(118)68(102)26-14-20-40-98)128-76-52-64(94(4,5)6)51-75(82(76)114)127-79-55-65(95(7,8)9)53-77(125-73)83(79)123-57-59-31-35-61(36-32-59)85(115)107-45-47-109-91(121)71(111-89(119)69(103)27-15-21-41-99)29-17-23-43-105-87(117)67(101)25-13-19-39-97;3-2(4,5)1(6)7/h31-38,49-56,67-72,113-114H,13-30,39-48,57-58,97-104H2,1-12H3,(H,105,117)(H,106,118)(H,107,115)(H,108,116)(H,109,121)(H,110,122)(H,111,119)(H,112,120);(H,6,7)
InChi Key: KEVYMKPZXNLTLM-UHFFFAOYSA-N
SMILES: C(C(=O)O)(F)(F)F.c1(c2Sc3c(c(Sc4c(c(Sc5c(c(Sc1cc(c2)C(C)(C)C)cc(c5)C(C)(C)C)O)cc(c4)C(C)(C)C)OCc1ccc(cc1)C(=O)NCCNC(=O)C(NC(=O)C(CCCCN)N)CCCCNC(=O)C(CCCCN)N)cc(c3)C(C)(C)C)O)OCc1ccc(cc1)C(=O)NCCNC(=O)C(NC(=O)C(CCCCN)N)CCCCNC(=O)C(CCCCN)N