HIV-GP120-41-N-B

pro_cas
pro_cdbregno
CCD03289941
pro_formula
C107 H193 N37 O28
pro_molWeight
2445.93

basic_info

Product_Name: HIV-GP120-41-N-B
EnglishSynonyms: HIV-GP120-41-N-B
pro_mdlNumber: MFCD17018896
pro_acceptors: 65
pro_donors: 39
pro_smile: CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C(C)C)C(=O)NC(C(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)N
InChi: InChI=1S/C107H193N37O28/c1-14-57(9)79(112)96(164)136-70(39-42-78(150)151)102(170)144-51-27-35-73(144)94(162)138-72(52-54(3)4)85(153)125-53-76(147)139-82(58(10)15-2)99(167)127-60(12)101(169)143-50-26-36-74(143)95(163)142-83(61(13)145)100(168)134-62(28-16-19-43-108)86(154)126-59(11)84(152)128-63(29-17-20-44-109)87(155)130-65(31-22-46-121-104(113)114)88(156)132-67(33-24-48-123-106(117)118)93(161)140-81(56(7)8)98(166)141-80(55(5)6)97(165)135-68(37-40-75(111)146)91(159)131-66(32-23-47-122-105(115)116)89(157)133-69(38-41-77(148)149)92(160)129-64(30-18-21-45-110)90(158)137-71(103(171)172)34-25-49-124-107(119)120/h54-74,79-83,145H,14-53,108-110,112H2,1-13H3,(H2,111,146)(H,125,153)(H,126,154)(H,127,167)(H,128,152)(H,129,160)(H,130,155)(H,131,159)(H,132,156)(H,133,157)(H,134,168)(H,135,165)(H,136,164)(H,137,158)(H,138,162)(H,139,147)(H,140,161)(H,141,166)(H,142,163)(H,148,149)(H,150,151)(H,171,172)(H4,113,114,121)(H4,115,116,122)(H4,117,118,123)(H4,119,120,124)/t57-,58-,59-,60-,61+,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,79-,80?,81-,82-,83-/m0/s1
InChiKey: InChIKey=BKEZXMLHCMCGNK-AOXRQTSPSA-N

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