Molecular Structure:
CCD No.:CCD04011551
WHW, FIBRONECTIN TYPE II LIGAND
Formula:C88 H133 N31 O17
MolWeight:1897.22
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| Product Name： | WHW, FIBRONECTIN TYPE II LIGAND |
| English Synonyms： | WHW, FIBRONECTIN TYPE II LIGAND ; WHWRHRIPLQLAAGR |
| MDL Number.： | MFCD18251907 |
| H bond acceptor： | 48 |
| H bond donor： | 29 |
| Smile： | CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3c[nH]c4c3cccc4)NC(=O)[C@H](Cc5c[nH]cn5)NC(=O)[C@H](Cc6c[nH]c7c6cccc7)N |
| InChi： | InChI=1S/C88H133N31O17/c1-9-47(6)71(84(134)119-31-17-25-68(119)83(133)117-64(33-46(4)5)79(129)112-61(26-27-69(90)120)76(126)114-63(32-45(2)3)78(128)108-49(8)73(123)107-48(7)72(122)104-42-70(121)109-62(85(135)136)24-16-30-101-88(95)96)118-77(127)60(23-15-29-100-87(93)94)111-81(131)67(37-53-41-98-44-106-53)116-75(125)59(22-14-28-99-86(91)92)110-80(130)65(35-51-39-103-58-21-13-11-19-55(51)58)115-82(132)66(36-52-40-97-43-105-52)113-74(124)56(89)34-50-38-102-57-20-12-10-18-54(50)57/h10-13,18-21,38-41,43-49,56,59-68,71,102-103H,9,14-17,22-37,42,89H2,1-8H3,(H2,90,120)(H,97,105)(H,98,106)(H,104,122)(H,107,123)(H,108,128)(H,109,121)(H,110,130)(H,111,131)(H,112,129)(H,113,124)(H,114,126)(H,115,132)(H,116,125)(H,117,133)(H,118,127)(H,135,136)(H4,91,92,99)(H4,93,94,100)(H4,95,96,101)/t47-,48-,49-,56-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,71-/m0/s1 |
| InChiKey： | InChIKey=PAHSRHUHVGNBTF-FIMXALDNSA-N |
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