PRAZARELIX ,134457-28-6 _ChemCD

PRAZARELIX

basic_info
Product_Name：	PRAZARELIX
CAS：	134457-28-6
EnglishSynonyms：	PRAZARELIX
pro_mdlNumber：	MFCD06407662
pro_acceptors：	35
pro_donors：	18
pro_smile：	CC(C)C[C@@H](C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)N)NC(=O)[C@@H](Cc2ccc(cc2)Nc3nc([nH]n3)N)NC(=O)[C@H](Cc4ccc(cc4)Nc5nc([nH]n5)N)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc6cccnc6)NC(=O)[C@@H](Cc7ccc(cc7)Cl)NC(=O)[C@@H](Cc8ccc9ccccc9c8)NC(=O)C
InChi：	InChI=1S/C80H102ClN23O12/c1-44(2)35-59(68(108)91-58(16-9-10-33-86-45(3)4)76(116)104-34-12-17-66(104)75(115)87-46(5)67(82)107)92-70(110)62(38-49-21-28-56(29-22-49)89-79-98-77(83)100-102-79)94-72(112)63(39-50-23-30-57(31-24-50)90-80-99-78(84)101-103-80)96-74(114)65(43-105)97-73(113)64(41-52-13-11-32-85-42-52)95-71(111)61(37-48-19-26-55(81)27-20-48)93-69(109)60(88-47(6)106)40-51-18-25-53-14-7-8-15-54(53)36-51/h7-8,11,13-15,18-32,36,42,44-46,58-66,86,105H,9-10,12,16-17,33-35,37-41,43H2,1-6H3,(H2,82,107)(H,87,115)(H,88,106)(H,91,108)(H,92,110)(H,93,109)(H,94,112)(H,95,111)(H,96,114)(H,97,113)(H4,83,89,98,100,102)(H4,84,90,99,101,103)/t46-,58+,59+,60-,61-,62-,63+,64-,65+,66+/m1/s1
InChiKey：	InChIKey=VLGKQBGBPIVGBX-ZVSGBDDQSA-N

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