Basic Information |
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| Product Name： | H2N-VRSSSRTPSDKPVAHVVANPQAEGQLGGK(BIOT)-AMIDE |
| English Synonyms： | H2N-VRSSSRTPSDKPVAHVVANPQAEGQLGGK(BIOT)-AMIDE ; TNF-ALPHA (1-26) BIOTINYL/AMIDE [HOMO SAPIENS] |
| MDL Number.： | MFCD08274434 |
| H bond acceptor： | 88 |
| H bond donor： | 48 |
| Smile： | CC(C)C[C@@H](C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)C(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc4c[nH]cn4)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]5CCCN5C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]6CCCN6C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C(C)C)N |
| InChi： | InChI=1S/C135H225N45O43S/c1-62(2)48-79(112(202)151-53-96(190)150-54-97(191)157-72(107(141)197)26-18-20-42-147-95(189)34-16-15-33-91-106-87(60-224-91)172-135(223)177-106)165-115(205)76(35-38-92(137)186)158-98(192)55-152-111(201)75(37-40-99(193)194)159-108(198)67(11)154-113(203)77(36-39-93(138)187)161-123(213)88-30-23-46-179(88)131(221)82(50-94(139)188)167-110(200)69(13)156-128(218)103(65(7)8)175-129(219)104(66(9)10)173-118(208)80(49-71-52-146-61-153-71)164-109(199)68(12)155-127(217)102(64(5)6)174-125(215)90-32-24-45-178(90)130(220)78(27-17-19-41-136)163-117(207)81(51-100(195)196)166-120(210)86(59-184)171-124(214)89-31-25-47-180(89)132(222)105(70(14)185)176-116(206)74(29-22-44-149-134(144)145)160-119(209)83(56-181)169-122(212)85(58-183)170-121(211)84(57-182)168-114(204)73(28-21-43-148-133(142)143)162-126(216)101(140)63(3)4/h52,61-70,72-91,101-106,181-185H,15-51,53-60,136,140H2,1-14H3,(H2,137,186)(H2,138,187)(H2,139,188)(H2,141,197)(H,146,153)(H,147,189)(H,150,190)(H,151,202)(H,152,201)(H,154,203)(H,155,217)(H,156,218)(H,157,191)(H,158,192)(H,159,198)(H,160,209)(H,161,213)(H,162,216)(H,163,207)(H,164,199)(H,165,205)(H,166,210)(H,167,200)(H,168,204)(H,169,212)(H,170,211)(H,171,214)(H,173,208)(H,174,215)(H,175,219)(H,176,206)(H,193,194)(H,195,196)(H4,142,143,148)(H4,144,145,149)(H2,172,177,223)/t67-,68-,69-,70+,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,101-,102-,103-,104-,105-,106-/m0/s1 |
| InChiKey： | InChIKey=DKASIUYKUAJQRO-LTAOLMGASA-N |
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