CALOXIN 1B1_ChemCD

CALOXIN 1B1

basic_info
Product_Name：	CALOXIN 1B1
EnglishSynonyms：	TAWSEVLHLLSRGGG ; CALOXIN 1B1
pro_mdlNumber：	MFCD18252141
pro_acceptors：	42
pro_donors：	25
pro_smile：	CC(C)C[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)NCC(=O)NCC(=O)O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3c2cccc3)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)N
InChi：	InChI=1S/C70H111N21O21/c1-33(2)20-45(61(104)85-46(21-34(3)4)63(106)89-50(30-92)66(109)82-43(16-13-19-75-70(72)73)59(102)79-28-53(96)77-27-52(95)78-29-55(99)100)86-65(108)49(24-40-26-74-32-80-40)87-62(105)47(22-35(5)6)88-69(112)57(36(7)8)91-60(103)44(17-18-54(97)98)83-67(110)51(31-93)90-64(107)48(23-39-25-76-42-15-12-11-14-41(39)42)84-58(101)37(9)81-68(111)56(71)38(10)94/h11-12,14-15,25-26,32-38,43-51,56-57,76,92-94H,13,16-24,27-31,71H2,1-10H3,(H,74,80)(H,77,96)(H,78,95)(H,79,102)(H,81,111)(H,82,109)(H,83,110)(H,84,101)(H,85,104)(H,86,108)(H,87,105)(H,88,112)(H,89,106)(H,90,107)(H,91,103)(H,97,98)(H,99,100)(H4,72,73,75)/t37-,38+,43-,44-,45+,46-,47-,48-,49-,50-,51-,56-,57-/m0/s1
InChiKey：	InChIKey=IVFUOMWUIRNJLP-OOGDIPTMSA-N

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