Basic Information |
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| Product Name： | HIV-GP120-41-C |
| English Synonyms： | HIV-GP120-41-C |
| MDL Number.： | MFCD17018897 |
| H bond acceptor： | 63 |
| H bond donor： | 37 |
| Smile： | CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)NC(CC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc3c[nH]c4c3cccc4)C(=O)O)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](CCCCN)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc5c[nH]c6c5cccc6)NC(=O)C(CO)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](Cc7c[nH]c8c7cccc8)NC(=O)[C@@H]9CCCN9C(=O)[C@H](C(C)C)N |
| InChi： | InChI=1S/C116H164N32O31S/c1-9-57(6)94(112(175)141-77(41-61-50-128-69-28-16-12-24-65(61)69)101(164)135-80(45-90(120)155)105(168)137-78(43-88(118)153)104(167)132-73(33-37-180-8)98(161)147-95(58(7)152)113(176)142-83(115(178)179)42-62-51-129-70-29-17-13-25-66(62)70)146-97(160)72(31-20-35-125-116(123)124)131-107(170)82(47-92(157)158)139-99(162)74(38-55(2)3)133-96(159)71(30-18-19-34-117)130-103(166)79(44-89(119)154)138-109(172)84(52-149)143-102(165)75(39-59-48-126-67-26-14-10-22-63(59)67)134-108(171)85(53-150)145-110(173)86(54-151)144-106(169)81(46-91(121)156)136-100(163)76(40-60-49-127-68-27-15-11-23-64(60)68)140-111(174)87-32-21-36-148(87)114(177)93(122)56(4)5/h10-17,22-29,48-51,55-58,71-87,93-95,126-129,149-152H,9,18-21,30-47,52-54,117,122H2,1-8H3,(H2,118,153)(H2,119,154)(H2,120,155)(H2,121,156)(H,130,166)(H,131,170)(H,132,167)(H,133,159)(H,134,171)(H,135,164)(H,136,163)(H,137,168)(H,138,172)(H,139,162)(H,140,174)(H,141,175)(H,142,176)(H,143,165)(H,144,169)(H,145,173)(H,146,160)(H,147,161)(H,157,158)(H,178,179)(H4,123,124,125)/t57-,58+,71-,72-,73-,74-,75-,76-,77-,78-,79-,80?,81-,82-,83-,84-,85?,86-,87-,93-,94-,95-/m0/s1 |
| InChiKey： | InChIKey=XIPLTUFCBSHPLA-VXZXYQLHSA-N |
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