HXB2 GAG NO 2/AA5-19

pro_cas
pro_cdbregno
CCD00416546
pro_formula
C73 H118 N20 O24
pro_molWeight
1659.85

basic_info

Product_Name: HXB2 GAG NO 2/AA5-19
EnglishSynonyms: ASVLSGGELDRWEKI ; HXB2 GAG NO 2/AA5-19 ; H-ALA-SER-VAL-LEU-SER-GLY-GLY-GLU-LEU-ASP-ARG-TRP-GLU-LYS-ILE-OH
pro_mdlNumber: MFCD03790480
pro_acceptors: 44
pro_donors: 26
pro_smile: CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)N
InChi: InChI=1S/C73H118N20O24/c1-10-38(8)59(72(116)117)93-65(109)43(18-13-14-24-74)83-64(108)46(21-23-56(100)101)85-68(112)49(28-40-30-79-42-17-12-11-16-41(40)42)87-62(106)44(19-15-25-78-73(76)77)84-69(113)50(29-57(102)103)88-66(110)47(26-35(2)3)86-63(107)45(20-22-55(98)99)82-54(97)32-80-53(96)31-81-61(105)51(33-94)91-67(111)48(27-36(4)5)89-71(115)58(37(6)7)92-70(114)52(34-95)90-60(104)39(9)75/h11-12,16-17,30,35-39,43-52,58-59,79,94-95H,10,13-15,18-29,31-34,74-75H2,1-9H3,(H,80,96)(H,81,105)(H,82,97)(H,83,108)(H,84,113)(H,85,112)(H,86,107)(H,87,106)(H,88,110)(H,89,115)(H,90,104)(H,91,111)(H,92,114)(H,93,109)(H,98,99)(H,100,101)(H,102,103)(H,116,117)(H4,76,77,78)/t38-,39-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,58-,59-/m0/s1
InChiKey: InChIKey=PLOARCKBGUDWIZ-MZRIEGCZSA-N

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