DFF40/CAD (I18), MOUSE_ChemCD

DFF40/CAD (I18), MOUSE

basic_info
Product_Name：	DFF40/CAD (I18), MOUSE
EnglishSynonyms：	EGLESRFRNKSGYLRYS ; DFF40/CAD (I18), MOUSE
pro_mdlNumber：	MFCD03844556
pro_acceptors：	56
pro_donors：	36
pro_smile：	CC(C)C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc3ccc(cc3)O)C(=O)N[C@@H](CO)C(=O)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)N
InChi：	InChI=1S/C90H140N28O28/c1-46(2)35-59(105-69(125)41-103-73(131)53(92)27-29-71(127)128)80(138)111-58(28-30-72(129)130)79(137)117-66(44-120)86(144)110-57(18-12-34-102-90(98)99)76(134)113-62(37-48-13-6-5-7-14-48)83(141)109-56(17-11-33-101-89(96)97)77(135)115-64(40-68(93)124)85(143)107-54(15-8-9-31-91)78(136)116-65(43-119)74(132)104-42-70(126)106-61(38-49-19-23-51(122)24-20-49)82(140)112-60(36-47(3)4)81(139)108-55(16-10-32-100-88(94)95)75(133)114-63(39-50-21-25-52(123)26-22-50)84(142)118-67(45-121)87(145)146/h5-7,13-14,19-26,46-47,53-67,119-123H,8-12,15-18,27-45,91-92H2,1-4H3,(H2,93,124)(H,103,131)(H,104,132)(H,105,125)(H,106,126)(H,107,143)(H,108,139)(H,109,141)(H,110,144)(H,111,138)(H,112,140)(H,113,134)(H,114,133)(H,115,135)(H,116,136)(H,117,137)(H,118,142)(H,127,128)(H,129,130)(H,145,146)(H4,94,95,100)(H4,96,97,101)(H4,98,99,102)/t53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-/m0/s1
InChiKey：	InChIKey=PUFPAWSLVFQZDK-QJAJHRPISA-N

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