TSQDITSGMWFGPRL_ChemCD

TSQDITSGMWFGPRL

basic_info
Product_Name：	TSQDITSGMWFGPRL
EnglishSynonyms：	TSQDITSGMWFGPRL ; TSQDITSGMWFGPRL-AMIDE
pro_mdlNumber：	MFCD18252078
pro_acceptors：	43
pro_donors：	25
pro_smile：	CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)N[C@@H](Cc3ccccc3)C(=O)NCC(=O)N4CCC[C@H]4C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)N
InChi：	InChI=1S/C75H115N21O22S/c1-8-38(4)60(94-69(113)51(31-58(104)105)91-66(110)46(22-23-55(76)101)86-70(114)53(36-98)92-72(116)59(77)39(5)99)73(117)95-61(40(6)100)74(118)93-52(35-97)64(108)83-33-56(102)85-47(24-27-119-7)67(111)90-50(30-42-32-82-44-19-13-12-18-43(42)44)68(112)89-49(29-41-16-10-9-11-17-41)63(107)84-34-57(103)96-26-15-21-54(96)71(115)87-45(20-14-25-81-75(79)80)65(109)88-48(62(78)106)28-37(2)3/h9-13,16-19,32,37-40,45-54,59-61,82,97-100H,8,14-15,20-31,33-36,77H2,1-7H3,(H2,76,101)(H2,78,106)(H,83,108)(H,84,107)(H,85,102)(H,86,114)(H,87,115)(H,88,109)(H,89,112)(H,90,111)(H,91,110)(H,92,116)(H,93,118)(H,94,113)(H,95,117)(H,104,105)(H4,79,80,81)/t38-,39+,40+,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,59-,60-,61-/m0/s1
InChiKey：	InChIKey=RIRVYGJXIRSURN-PEQIPPJNSA-N

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