BIOT-GGAKPWYEPIYL-AMIDE_Chemical Cloud Database

BIOT-GGAKPWYEPIYL-AMIDE

Basic Information
Product Name：	BIOT-GGAKPWYEPIYL-AMIDE
English Synonyms：	TNF-ALPHA (111-120) BIOTINYL/AMIDE [HOMO SAPIENS] ; BIOT-GGAKPWYEPIYL-AMIDE
MDL Number.：	MFCD08274430
H bond acceptor：	35
H bond donor：	18
Smile：	CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc3ccc(cc3)O)NC(=O)[C@H](Cc4c[nH]c5c4cccc5)NC(=O)[C@@H]6CCCN6C(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)CNC(=O)CNC(=O)CCCC[C@H]7[C@@H]8[C@H](CS7)NC(=O)N8
InChi：	InChI=1S/C79H111N17O18S/c1-6-44(4)67(76(111)91-57(37-47-24-28-50(98)29-25-47)72(107)88-55(69(81)104)35-43(2)3)93-75(110)61-19-14-34-96(61)78(113)54(30-31-66(102)103)87-71(106)56(36-46-22-26-49(97)27-23-46)89-73(108)58(38-48-39-82-52-16-8-7-15-51(48)52)90-74(109)60-18-13-33-95(60)77(112)53(17-11-12-32-80)86-70(105)45(5)85-65(101)41-84-64(100)40-83-63(99)21-10-9-20-62-68-59(42-115-62)92-79(114)94-68/h7-8,15-16,22-29,39,43-45,53-62,67-68,82,97-98H,6,9-14,17-21,30-38,40-42,80H2,1-5H3,(H2,81,104)(H,83,99)(H,84,100)(H,85,101)(H,86,105)(H,87,106)(H,88,107)(H,89,108)(H,90,109)(H,91,111)(H,93,110)(H,102,103)(H2,92,94,114)/t44-,45-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,67-,68-/m0/s1
InChiKey：	InChIKey=HCKZIQCWYICMFZ-IKGMSJEMSA-N

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