基本信息 |
|
| 产品名称： | H2N-MLWRRKIGPQMTLSHAAG-OH |
| 英文同义词： | SMALL INDUCIBLE CYTOKINE A23 ISOFORM CKBETA8-1 PRECURSOR (46-63) [HOMO SAPIENS] ; H2N-MLWRRKIGPQMTLSHAAG-OH |
| MDL号： | MFCD08274417 |
| 氢键受体数量： | 51 |
| 氢键供体数量： | 30 |
| Smile： | CC[C@H](C)[C@@H](C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3c[nH]c4c3cccc4)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)N |
| InChi： | InChI=1S/C90H149N29O22S2/c1-12-48(6)71(117-79(132)57(22-15-16-30-91)107-76(129)58(23-17-31-99-89(94)95)108-77(130)59(24-18-32-100-90(96)97)109-84(137)64(38-52-40-101-56-21-14-13-20-54(52)56)113-82(135)62(36-46(2)3)112-75(128)55(92)28-34-142-10)87(140)102-42-69(123)119-33-19-25-67(119)86(139)111-60(26-27-68(93)122)78(131)110-61(29-35-143-11)80(133)118-72(51(9)121)88(141)115-63(37-47(4)5)83(136)116-66(44-120)85(138)114-65(39-53-41-98-45-104-53)81(134)106-50(8)74(127)105-49(7)73(126)103-43-70(124)125/h13-14,20-21,40-41,45-51,55,57-67,71-72,101,120-121H,12,15-19,22-39,42-44,91-92H2,1-11H3,(H2,93,122)(H,98,104)(H,102,140)(H,103,126)(H,105,127)(H,106,134)(H,107,129)(H,108,130)(H,109,137)(H,110,131)(H,111,139)(H,112,128)(H,113,135)(H,114,138)(H,115,141)(H,116,136)(H,117,132)(H,118,133)(H,124,125)(H4,94,95,99)(H4,96,97,100)/t48-,49-,50-,51+,55-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,71-,72-/m0/s1 |
| InChiKey： | InChIKey=ULUOXCRNSRVJPE-MJRHPTFMSA-N |
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