Basic Information |
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| Product Name： | ADAMTSOSTATIN-4 |
| English Synonyms： | TSP-1 ; THROMBOSPONDIN 1 ; GLY-PRO-TRP-GLY-ASP-CYS-SER-ARG-THR-CYS-GLY-GLY-GLY-VAL-GLN-PHE-SER-SER-ARG ; ADAMTSOSTATIN-4 ; THROMBOSPONDIN ; GPWGDCSRTCGGGVQFSSR |
| MDL Number.： | MFCD11656185 |
| H bond acceptor： | 54 |
| H bond donor： | 32 |
| Smile： | CC(C)[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(CO)C(=O)NC(CO)C(=O)NC(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](CC(=O)O)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3c2cccc3)NC(=O)[C@@H]4CCCN4C(=O)CN |
| InChi： | InChI=1S/C80H121N27O27S2/c1-38(2)63(76(131)96-45(19-20-56(82)112)67(122)98-47(24-40-12-5-4-6-13-40)69(124)100-52(35-110)73(128)101-51(34-109)72(127)97-46(78(133)134)17-10-22-88-80(85)86)105-60(116)31-91-57(113)29-90-58(114)30-92-66(121)53(36-135)104-77(132)64(39(3)111)106-68(123)44(16-9-21-87-79(83)84)95-71(126)50(33-108)102-74(129)54(37-136)103-70(125)49(26-62(118)119)94-59(115)32-93-65(120)48(25-41-28-89-43-15-8-7-14-42(41)43)99-75(130)55-18-11-23-107(55)61(117)27-81/h4-8,12-15,28,38-39,44-55,63-64,89,108-111,135-136H,9-11,16-27,29-37,81H2,1-3H3,(H2,82,112)(H,90,114)(H,91,113)(H,92,121)(H,93,120)(H,94,115)(H,95,126)(H,96,131)(H,97,127)(H,98,122)(H,99,130)(H,100,124)(H,101,128)(H,102,129)(H,103,125)(H,104,132)(H,105,116)(H,106,123)(H,118,119)(H,133,134)(H4,83,84,87)(H4,85,86,88)/t39-,44+,45+,46?,47+,48+,49+,50+,51?,52?,53+,54+,55+,63+,64+/m1/s1 |
| InChiKey： | InChIKey=BTLDLDSVCSOXGN-SBYDHGGSSA-N |
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