HXB2 GAG NO 95/AA377-391

pro_cas
pro_cdbregno
CCD00416637
pro_formula
C80 H140 N30 O20 S2
pro_molWeight
1906.31

basic_info

Product_Name: HXB2 GAG NO 95/AA377-391
EnglishSynonyms: HXB2 GAG NO 95/AA377-391 ; MMQRGNFRNQRKIVK ; H-MET-MET-GLN-ARG-GLY-ASN-PHE-ARG-ASN-GLN-ARG-LYS-ILE-VAL-LYS-OH
pro_mdlNumber: MFCD03790571
pro_acceptors: 50
pro_donors: 31
pro_smile: CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)N)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCSC)N
InChi: InChI=1S/C80H140N30O20S2/c1-7-43(4)63(76(128)109-62(42(2)3)75(127)106-53(77(129)130)21-12-14-32-82)110-71(123)47(20-11-13-31-81)101-66(118)48(23-16-34-95-79(90)91)102-69(121)51(26-28-58(85)112)105-74(126)56(40-60(87)114)108-67(119)49(24-17-35-96-80(92)93)103-72(124)54(38-44-18-9-8-10-19-44)107-73(125)55(39-59(86)113)98-61(115)41-97-65(117)46(22-15-33-94-78(88)89)100-68(120)50(25-27-57(84)111)104-70(122)52(30-37-132-6)99-64(116)45(83)29-36-131-5/h8-10,18-19,42-43,45-56,62-63H,7,11-17,20-41,81-83H2,1-6H3,(H2,84,111)(H2,85,112)(H2,86,113)(H2,87,114)(H,97,117)(H,98,115)(H,99,116)(H,100,120)(H,101,118)(H,102,121)(H,103,124)(H,104,122)(H,105,126)(H,106,127)(H,107,125)(H,108,119)(H,109,128)(H,110,123)(H,129,130)(H4,88,89,94)(H4,90,91,95)(H4,92,93,96)/t43-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,62-,63-/m0/s1
InChiKey: InChIKey=UQPYPGKCZDGZBT-HJVPWWPWSA-N

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