HIV-1 MN ENV-76

pro_cas
pro_cdbregno
CCD00416412
pro_formula
C79 H134 N30 O20 S
pro_molWeight
1856.18

basic_info

Product_Name: HIV-1 MN ENV-76
EnglishSynonyms: CTRPNYNKRKRIHIG ; HIV-1 MN ENV-76 ; H-CYS-THR-ARG-PRO-ASN-TYR-ASN-LYS-ARG-LYS-ARG-ILE-HIS-ILE-GLY-OH
pro_mdlNumber: MFCD03790346
pro_acceptors: 50
pro_donors: 31
pro_smile: CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CS)N
InChi: InChI=1S/C79H134N30O20S/c1-6-40(3)60(73(126)95-37-59(114)115)106-71(124)53(33-44-36-91-39-96-44)105-74(127)61(41(4)7-2)107-67(120)50(19-13-29-93-78(87)88)99-64(117)47(16-8-10-26-80)97-66(119)49(18-12-28-92-77(85)86)98-65(118)48(17-9-11-27-81)100-69(122)54(34-57(83)112)103-68(121)52(32-43-22-24-45(111)25-23-43)102-70(123)55(35-58(84)113)104-72(125)56-21-15-31-109(56)76(129)51(20-14-30-94-79(89)90)101-75(128)62(42(5)110)108-63(116)46(82)38-130/h22-25,36,39-42,46-56,60-62,110-111,130H,6-21,26-35,37-38,80-82H2,1-5H3,(H2,83,112)(H2,84,113)(H,91,96)(H,95,126)(H,97,119)(H,98,118)(H,99,117)(H,100,122)(H,101,128)(H,102,123)(H,103,121)(H,104,125)(H,105,127)(H,106,124)(H,107,120)(H,108,116)(H,114,115)(H4,85,86,92)(H4,87,88,93)(H4,89,90,94)/t40-,41-,42+,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,60-,61-,62-/m0/s1
InChiKey: InChIKey=RFCKXKJKGBYDBF-SLIGZQSNSA-N

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