HXB2 GAG NO 106_ChemCD

HXB2 GAG NO 106

basic_info
Product_Name：	HXB2 GAG NO 106
EnglishSynonyms：	QMKDCTERQANFLG ; HXB2 GAG NO 106
pro_mdlNumber：	MFCD18251924
pro_acceptors：	44
pro_donors：	25
pro_smile：	CC(C)C[C@@H](C(=O)NCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)N)N
InChi：	InChI=1S/C67H109N21O23S2/c1-32(2)26-42(56(101)76-30-52(97)98)84-62(107)43(27-35-12-7-6-8-13-35)85-63(108)44(28-49(72)92)83-54(99)33(3)77-57(102)39(17-20-48(71)91)81-58(103)38(15-11-24-75-67(73)74)80-60(105)40(18-21-50(93)94)82-66(111)53(34(4)89)88-65(110)46(31-112)87-64(109)45(29-51(95)96)86-59(104)37(14-9-10-23-68)79-61(106)41(22-25-113-5)78-55(100)36(69)16-19-47(70)90/h6-8,12-13,32-34,36-46,53,89,112H,9-11,14-31,68-69H2,1-5H3,(H2,70,90)(H2,71,91)(H2,72,92)(H,76,101)(H,77,102)(H,78,100)(H,79,106)(H,80,105)(H,81,103)(H,82,111)(H,83,99)(H,84,107)(H,85,108)(H,86,104)(H,87,109)(H,88,110)(H,93,94)(H,95,96)(H,97,98)(H4,73,74,75)/t33-,34+,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,53-/m0/s1
InChiKey：	InChIKey=NHRHXDWXVBLIOY-RNXLNIEDSA-N

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