Basic Information |
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| Product Name： | BIOT-GGHVLLTHTISRIAVSTQTKVNLL-AMIDE |
| English Synonyms： | BIOT-GGHVLLTHTISRIAVSTQTKVNLL-AMIDE ; TNF-ALPHA (73-94) BIOTINYL/AMIDE [HOMO SAPIENS] |
| MDL Number.： | MFCD08274441 |
| H bond acceptor： | 71 |
| H bond donor： | 41 |
| Smile： | CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CNC(=O)CNC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4 |
| InChi： | InChI=1S/C123H211N37O34S/c1-24-62(17)93(116(188)137-64(19)101(173)151-90(59(11)12)115(187)148-82(51-162)112(184)159-96(66(21)164)119(191)141-73(35-36-85(125)167)104(176)156-95(65(20)163)118(190)140-71(31-28-29-37-124)102(174)152-91(60(13)14)114(186)147-80(45-86(126)168)107(179)143-75(40-56(5)6)105(177)142-74(100(127)172)39-55(3)4)154-103(175)72(32-30-38-132-122(128)129)139-111(183)81(50-161)149-117(189)94(63(18)25-2)155-121(193)98(68(23)166)158-110(182)79(44-70-47-131-54-136-70)146-120(192)97(67(22)165)157-108(180)77(42-58(9)10)144-106(178)76(41-57(7)8)145-113(185)92(61(15)16)153-109(181)78(43-69-46-130-53-135-69)138-89(171)49-134-88(170)48-133-87(169)34-27-26-33-84-99-83(52-195-84)150-123(194)160-99/h46-47,53-68,71-84,90-99,161-166H,24-45,48-52,124H2,1-23H3,(H2,125,167)(H2,126,168)(H2,127,172)(H,130,135)(H,131,136)(H,133,169)(H,134,170)(H,137,188)(H,138,171)(H,139,183)(H,140,190)(H,141,191)(H,142,177)(H,143,179)(H,144,178)(H,145,185)(H,146,192)(H,147,186)(H,148,187)(H,149,189)(H,151,173)(H,152,174)(H,153,181)(H,154,175)(H,155,193)(H,156,176)(H,157,180)(H,158,182)(H,159,184)(H4,128,129,132)(H2,150,160,194)/t62-,63-,64-,65+,66+,67+,68+,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-/m0/s1 |
| InChiKey： | InChIKey=MDFFEASPQIZZHZ-AQMNQKLBSA-N |
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