HXB2 GAG NO 98_ChemCD

HXB2 GAG NO 98

basic_info
Product_Name：	HXB2 GAG NO 98
EnglishSynonyms：	H-ILE-VAL-LYS-CYS-PHE-ASN-CYS-GLY-LYS-GLU-GLY-HIS-THR-ALA-ARG-OH ; HXB2 GAG NO 98 ; IVKCFNCGKEGHTAR
pro_mdlNumber：	MFCD03790574
pro_acceptors：	43
pro_donors：	25
pro_smile：	CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)N
InChi：	InChI=1S/C70H115N23O20S2/c1-7-36(4)54(74)66(109)92-55(35(2)3)67(110)86-42(19-12-14-24-72)61(104)91-49(33-115)65(108)88-45(26-39-16-9-8-10-17-39)62(105)89-47(28-50(73)95)63(106)90-48(32-114)59(102)80-30-51(96)83-41(18-11-13-23-71)60(103)85-43(21-22-53(98)99)58(101)79-31-52(97)84-46(27-40-29-77-34-81-40)64(107)93-56(38(6)94)68(111)82-37(5)57(100)87-44(69(112)113)20-15-25-78-70(75)76/h8-10,16-17,29,34-38,41-49,54-56,94,114-115H,7,11-15,18-28,30-33,71-72,74H2,1-6H3,(H2,73,95)(H,77,81)(H,79,101)(H,80,102)(H,82,111)(H,83,96)(H,84,97)(H,85,103)(H,86,110)(H,87,100)(H,88,108)(H,89,105)(H,90,106)(H,91,104)(H,92,109)(H,93,107)(H,98,99)(H,112,113)(H4,75,76,78)/t36-,37-,38+,41-,42-,43-,44-,45-,46-,47-,48-,49-,54-,55-,56-/m0/s1
InChiKey：	InChIKey=RDOCDGAGKSNSDV-RTSRZWGDSA-N

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