Molecular Formula: C90H113F3N16O14S4
Molecular weight: 1828.2142296
InChi: InChI=1S/C88H112N16O12S4.C2HF3O2/c89-35-5-1-11-71(93)85(109)101-43-39-97-81(105)61-27-19-57(20-28-61)53-113-65-47-67-51-68(48-65)118-76-16-10-18-78(80(76)116-56-60-25-33-64(34-26-60)84(108)100-42-46-104-88(112)74(96)14-4-8-38-92)120-70-50-66(114-54-58-21-29-62(30-22-58)82(106)98-40-44-102-86(110)72(94)12-2-6-36-90)49-69(52-70)119-77-17-9-15-75(117-67)79(77)115-55-59-23-31-63(32-24-59)83(107)99-41-45-103-87(111)73(95)13-3-7-37-91;3-2(4,5)1(6)7/h9-10,15-34,47-52,71-74H,1-8,11-14,35-46,53-56,89-96H2,(H,97,105)(H,98,106)(H,99,107)(H,100,108)(H,101,109)(H,102,110)(H,103,111)(H,104,112);(H,6,7)
InChi Key: DDNWOBKVLRVAQY-UHFFFAOYSA-N
SMILES: C(C(=O)O)(F)(F)F.c12c(c(Sc3cc(Sc4c(c(Sc5cc(S1)cc(c5)OCc1ccc(cc1)C(=O)NCCNC(=O)C(CCCCN)N)ccc4)OCc1ccc(cc1)C(=O)NCCNC(=O)C(CCCCN)N)cc(c3)OCc1ccc(cc1)C(=O)NCCNC(=O)C(CCCCN)N)ccc2)OCc1ccc(cc1)C(=O)NCCNC(=O)C(CCCCN)N