Pro_Molecular_Structure:
pro_cdbregno:CCD00416656
HXB2 GAG NO 114
pro_formula:C70 H106 N18 O25
pro_molWeight:1599.71
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| Product_Name： | HXB2 GAG NO 114 |
| EnglishSynonyms： | PEPTAPPEESFRSGV ; HXB2 GAG NO 114 ; H-PRO-GLU-PRO-THR-ALA-PRO-PRO-GLU-GLU-SER-PHE-ARG-SER-GLY-VAL-OH |
| pro_mdlNumber： | MFCD03790590 |
| pro_acceptors： | 43 |
| pro_donors： | 22 |
| pro_smile： | CC(C)[C@@H](C(=O)O)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]3CCCN3C(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]5CCCN5 |
| InChi： | InChI=1S/C70H106N18O25/c1-35(2)54(69(112)113)84-50(92)32-75-56(99)45(33-89)82-58(101)40(16-9-27-74-70(71)72)77-61(104)44(31-38-13-6-5-7-14-38)81-62(105)46(34-90)83-60(103)41(20-23-51(93)94)78-59(102)42(21-24-52(95)96)79-63(106)47-17-11-29-87(47)68(111)49-19-12-30-88(49)66(109)36(3)76-65(108)55(37(4)91)85-64(107)48-18-10-28-86(48)67(110)43(22-25-53(97)98)80-57(100)39-15-8-26-73-39/h5-7,13-14,35-37,39-49,54-55,73,89-91H,8-12,15-34H2,1-4H3,(H,75,99)(H,76,108)(H,77,104)(H,78,102)(H,79,106)(H,80,100)(H,81,105)(H,82,101)(H,83,103)(H,84,92)(H,85,107)(H,93,94)(H,95,96)(H,97,98)(H,112,113)(H4,71,72,74)/t36-,37+,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,54-,55-/m0/s1 |
| InChiKey： | InChIKey=SJFYAJRINOLCJH-PVJSJQFESA-N |
basic_info
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