THS, FIBRONECTIN TYPE II LIGAND_Chemical Cloud Database

THS, FIBRONECTIN TYPE II LIGAND

Basic Information
Product Name：	THS, FIBRONECTIN TYPE II LIGAND
English Synonyms：	THSHQWRHHQFPAPT ; THS, FIBRONECTIN TYPE II LIGAND
MDL Number.：	MFCD18251906
H bond acceptor：	50
H bond donor：	27
Smile：	C[C@H]([C@@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](Cc3c[nH]c4c3cccc4)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc5c[nH]cn5)C(=O)N[C@@H](Cc6c[nH]cn6)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](Cc7ccccc7)C(=O)N8CCC[C@H]8C(=O)N[C@@H](C)C(=O)N9CCC[C@H]9C(=O)N[C@@H]([C@@H](C)O)C(=O)O)N)O
InChi：	InChI=1S/C84H115N29O21/c1-42(81(131)112-24-10-18-64(112)79(129)111-68(44(3)116)83(133)134)100-78(128)63-17-11-25-113(63)82(132)61(26-45-12-5-4-6-13-45)109-71(121)55(20-22-66(86)118)103-73(123)57(28-47-33-90-38-96-47)106-75(125)59(30-49-35-92-40-98-49)105-69(119)53(16-9-23-94-84(88)89)101-72(122)56(27-46-32-95-52-15-8-7-14-51(46)52)104-70(120)54(19-21-65(85)117)102-74(124)58(29-48-34-91-39-97-48)107-77(127)62(37-114)110-76(126)60(31-50-36-93-41-99-50)108-80(130)67(87)43(2)115/h4-8,12-15,32-36,38-44,53-64,67-68,95,114-116H,9-11,16-31,37,87H2,1-3H3,(H2,85,117)(H2,86,118)(H,90,96)(H,91,97)(H,92,98)(H,93,99)(H,100,128)(H,101,122)(H,102,124)(H,103,123)(H,104,120)(H,105,119)(H,106,125)(H,107,127)(H,108,130)(H,109,121)(H,110,126)(H,111,129)(H,133,134)(H4,88,89,94)/t42-,43+,44+,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,67-,68-/m0/s1
InChiKey：	InChIKey=GAEHFMCXIABIOB-QNKZBBDBSA-N

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