基本信息 |
|
| 产品名称： | ADAMTSOSTATIN-18 |
| 英文同义词： | SKWSECSRTCGGGVKFQER ; SER-LYS-TRP-SER-GLU-CYS-SER-ARG-THR-CYS-GLY-GLY-GLY-VAL-LYS-PHE-GLN-GLU-ARG ; ADAMTSOSTATIN-18 |
| MDL号： | MFCD11656187 |
| 氢键受体数量： | 58 |
| 氢键供体数量： | 36 |
| Smile： | CC(C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]c3c2cccc3)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)N |
| InChi： | InChI=1S/C89H141N29O29S2/c1-44(2)70(85(144)109-52(20-10-12-30-91)75(134)111-58(33-46-15-5-4-6-16-46)80(139)107-54(23-26-64(93)123)76(135)106-55(24-27-68(127)128)77(136)110-57(87(146)147)22-14-32-99-89(96)97)117-67(126)38-102-65(124)36-101-66(125)37-103-73(132)62(42-148)116-86(145)71(45(3)122)118-79(138)53(21-13-31-98-88(94)95)105-82(141)61(41-121)114-84(143)63(43-149)115-78(137)56(25-28-69(129)130)108-83(142)60(40-120)113-81(140)59(34-47-35-100-50-18-8-7-17-48(47)50)112-74(133)51(19-9-11-29-90)104-72(131)49(92)39-119/h4-8,15-18,35,44-45,49,51-63,70-71,100,119-122,148-149H,9-14,19-34,36-43,90-92H2,1-3H3,(H2,93,123)(H,101,125)(H,102,124)(H,103,132)(H,104,131)(H,105,141)(H,106,135)(H,107,139)(H,108,142)(H,109,144)(H,110,136)(H,111,134)(H,112,133)(H,113,140)(H,114,143)(H,115,137)(H,116,145)(H,117,126)(H,118,138)(H,127,128)(H,129,130)(H,146,147)(H4,94,95,98)(H4,96,97,99)/t45-,49+,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,70+,71+/m1/s1 |
| InChiKey： | InChIKey=RXEJRGZPHZFRAN-YJVWDOMWSA-N |
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