Basic Information |
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Product Name: | WP9QY, TNF-ALPHA ANTAGONIST |
English Synonyms: | WP9QY, TNF-ALPHA ANTAGONIST ; YCWSQYLCY (DISULFIDE BRIDGE: 2-8) ; H-TYR-CYS-TRP-SER-GLN-TYR-LEU-CYS-TYR-OH (DISULFIDE BRIDGE: 2-8) ; YCWSQYLCY (DISULFIDE) |
MDL Number.: | MFCD13182316 |
H bond acceptor: | 26 |
H bond donor: | 16 |
Smile: | CC(C)C[C@H]1C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)Cc2ccc(cc2)O)CCC(=O)N)CO)Cc3c[nH]c4c3cccc4)NC(=O)[C@H](Cc5ccc(cc5)O)N)C(=O)N[C@@H](Cc6ccc(cc6)O)C(=O)O |
InChi: | InChI=1S/C58H71N11O15S2/c1-30(2)21-42-52(77)69-48(57(82)66-45(58(83)84)24-33-11-17-37(73)18-12-33)29-86-85-28-47(68-50(75)39(59)22-31-7-13-35(71)14-8-31)56(81)65-44(25-34-26-61-40-6-4-3-5-38(34)40)54(79)67-46(27-70)55(80)62-41(19-20-49(60)74)51(76)64-43(53(78)63-42)23-32-9-15-36(72)16-10-32/h3-18,26,30,39,41-48,61,70-73H,19-25,27-29,59H2,1-2H3,(H2,60,74)(H,62,80)(H,63,78)(H,64,76)(H,65,81)(H,66,82)(H,67,79)(H,68,75)(H,69,77)(H,83,84)/t39-,41-,42-,43-,44-,45-,46-,47-,48-/m0/s1 |
InChiKey: | InChIKey=OXRZFLLXMORPHO-XCLFSWKQSA-N |
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