KANAKTDEIRM_ChemCD

KANAKTDEIRM

basic_info
Product_Name：	KANAKTDEIRM
EnglishSynonyms：	KANAKTDEIRM ; SNAP-25, SCRAMBLED
pro_mdlNumber：	MFCD18252152
pro_acceptors：	35
pro_donors：	21
pro_smile：	CC[C@@H](C)[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCSC)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)N
InChi：	InChI=1S/C52H93N17O18S/c1-7-25(2)39(49(84)64-31(15-12-21-59-52(57)58)44(79)65-33(51(86)87)18-22-88-6)68-46(81)32(16-17-37(72)73)63-48(83)35(24-38(74)75)67-50(85)40(28(5)70)69-45(80)30(14-9-11-20-54)62-41(76)27(4)61-47(82)34(23-36(56)71)66-42(77)26(3)60-43(78)29(55)13-8-10-19-53/h25-35,39-40,70H,7-24,53-55H2,1-6H3,(H2,56,71)(H,60,78)(H,61,82)(H,62,76)(H,63,83)(H,64,84)(H,65,79)(H,66,77)(H,67,85)(H,68,81)(H,69,80)(H,72,73)(H,74,75)(H,86,87)(H4,57,58,59)/t25-,26+,27+,28-,29+,30+,31+,32+,33+,34+,35+,39-,40+/m1/s1
InChiKey：	InChIKey=UWEWQLBLNRAQNQ-JDFPEXMYSA-N

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