TIPLIMOTIDE ,178823-49-9 _ChemCD

TIPLIMOTIDE

basic_info
Product_Name：	TIPLIMOTIDE
CAS：	178823-49-9
EnglishSynonyms：	TIPLIMOTIDE
pro_mdlNumber：	MFCD09837784
pro_acceptors：	45
pro_donors：	23
pro_smile：	CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2CCC[C@H]2C(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]5CCCN5C(=O)[C@H](CCCCN)NC(=O)[C@@H](C)N
InChi：	InChI=1S/C87H143N25O20/c1-15-47(10)67(83(129)106-66(46(8)9)82(128)109-69(51(14)114)86(132)112-36-24-30-61(112)78(124)98-54(28-21-33-95-87(92)93)73(119)108-68(50(13)113)85(131)110-34-22-29-60(110)70(91)116)107-77(123)59(40-63(90)115)100-72(118)49(12)97-74(120)57(38-52-25-17-16-18-26-52)102-75(121)56(37-43(2)3)101-76(122)58(39-53-41-94-42-96-53)103-80(126)64(44(4)5)105-81(127)65(45(6)7)104-79(125)62-31-23-35-111(62)84(130)55(27-19-20-32-88)99-71(117)48(11)89/h16-18,25-26,41-51,54-62,64-69,113-114H,15,19-24,27-40,88-89H2,1-14H3,(H2,90,115)(H2,91,116)(H,94,96)(H,97,120)(H,98,124)(H,99,117)(H,100,118)(H,101,122)(H,102,121)(H,103,126)(H,104,125)(H,105,127)(H,106,129)(H,107,123)(H,108,119)(H,109,128)(H4,92,93,95)/t47-,48+,49-,50+,51+,54-,55-,56-,57-,58-,59-,60-,61-,62-,64-,65-,66-,67-,68-,69-/m0/s1
InChiKey：	InChIKey=GIZDBAQDDXYVPC-PPFXTMJRSA-N

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