HP-3 TOXIN_ChemCD

HP-3 TOXIN

basic_info
Product_Name：	HP-3 TOXIN
EnglishSynonyms：	HP-3 TOXIN ; IFGLLAKTLGNLF
pro_mdlNumber：	MFCD18252146
pro_acceptors：	31
pro_donors：	17
pro_smile：	CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]([C@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)N
InChi：	InChI=1S/C69H111N15O16/c1-13-41(10)57(72)67(97)81-51(32-44-22-16-14-17-23-44)61(91)74-35-55(87)76-48(29-38(4)5)64(94)79-49(30-39(6)7)63(93)75-42(11)59(89)78-46(26-20-21-27-70)62(92)84-58(43(12)85)68(98)82-47(28-37(2)3)60(90)73-36-56(88)77-52(34-54(71)86)66(96)80-50(31-40(8)9)65(95)83-53(69(99)100)33-45-24-18-15-19-25-45/h14-19,22-25,37-43,46-53,57-58,85H,13,20-21,26-36,70,72H2,1-12H3,(H2,71,86)(H,73,90)(H,74,91)(H,75,93)(H,76,87)(H,77,88)(H,78,89)(H,79,94)(H,80,96)(H,81,97)(H,82,98)(H,83,95)(H,84,92)(H,99,100)/t41-,42-,43-,46-,47-,48-,49-,50-,51-,52-,53-,57-,58+/m0/s1
InChiKey：	InChIKey=HKXGMJXKZGZJOX-JSNQMBBYSA-N

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