Basic Information |
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| Product Name： | H2N-VRSSSRTPSDKPVAHVVANPQAEGQL-OH |
| English Synonyms： | TNF-ALPHA (1-26) [HOMO SAPIENS] ; H2N-VRSSSRTPSDKPVAHVVANPQAEGQL-OH |
| MDL Number.： | MFCD08274433 |
| H bond acceptor： | 77 |
| H bond donor： | 42 |
| Smile： | CC(C)C[C@@H](C(=O)O)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]1CCCN1C(=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](Cc2c[nH]cn2)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]4CCCN4C(=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/C115H192N38O39/c1-51(2)40-70(113(191)192)142-95(173)64(28-31-78(117)159)133-81(162)45-128-92(170)63(30-33-82(163)164)134-89(167)56(11)130-93(171)65(29-32-79(118)160)136-103(181)75-25-19-38-152(75)111(189)69(42-80(119)161)141-91(169)58(13)132-108(186)86(54(7)8)149-109(187)87(55(9)10)147-98(176)67(41-60-44-125-50-129-60)139-90(168)57(12)131-107(185)85(53(5)6)148-105(183)77-27-20-37-151(77)110(188)66(22-15-16-34-116)138-97(175)68(43-83(165)166)140-100(178)74(49-157)146-104(182)76-26-21-39-153(76)112(190)88(59(14)158)150-96(174)62(24-18-36-127-115(123)124)135-99(177)71(46-154)144-102(180)73(48-156)145-101(179)72(47-155)143-94(172)61(23-17-35-126-114(121)122)137-106(184)84(120)52(3)4/h44,50-59,61-77,84-88,154-158H,15-43,45-49,116,120H2,1-14H3,(H2,117,159)(H2,118,160)(H2,119,161)(H,125,129)(H,128,170)(H,130,171)(H,131,185)(H,132,186)(H,133,162)(H,134,167)(H,135,177)(H,136,181)(H,137,184)(H,138,175)(H,139,168)(H,140,178)(H,141,169)(H,142,173)(H,143,172)(H,144,180)(H,145,179)(H,146,182)(H,147,176)(H,148,183)(H,149,187)(H,150,174)(H,163,164)(H,165,166)(H,191,192)(H4,121,122,126)(H4,123,124,127)/t56-,57-,58-,59+,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,84-,85-,86-,87-,88-/m0/s1 |
| InChiKey： | InChIKey=DATNOXHFIIDRAW-ICEZKDNKSA-N |
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