Basic Information |
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| Product Name： | THROMBOSTATIN CONT-1 |
| English Synonyms： | THROMBOSTATIN CONT-1 ; GLN-PRO-TRP-SER-GLN-CYS-SER-ALA-THR-CYS-GLY-ASP-GLY-VAL-ARG-GLU-ARG-ARG-ARG ; QPWSQCSATCGDGVRERRR |
| MDL Number.： | MFCD11656197 |
| H bond acceptor： | 63 |
| H bond donor： | 39 |
| Smile： | CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCC(=O)N)N |
| InChi： | InChI=1S/C87H142N34O29S2/c1-39(2)65(80(146)112-48(16-9-27-101-86(95)96)71(137)110-50(21-24-63(129)130)73(139)109-46(14-7-25-99-84(91)92)70(136)108-47(15-8-26-100-85(93)94)72(138)113-51(83(149)150)17-10-28-102-87(97)98)119-62(128)34-104-68(134)53(31-64(131)132)107-61(127)33-105-69(135)56(37-151)118-81(147)66(41(4)124)120-67(133)40(3)106-76(142)54(35-122)116-78(144)57(38-152)117-74(140)49(20-23-60(90)126)111-77(143)55(36-123)115-75(141)52(30-42-32-103-45-13-6-5-12-43(42)45)114-79(145)58-18-11-29-121(58)82(148)44(88)19-22-59(89)125/h5-6,12-13,32,39-41,44,46-58,65-66,103,122-124,151-152H,7-11,14-31,33-38,88H2,1-4H3,(H2,89,125)(H2,90,126)(H,104,134)(H,105,135)(H,106,142)(H,107,127)(H,108,136)(H,109,139)(H,110,137)(H,111,143)(H,112,146)(H,113,138)(H,114,145)(H,115,141)(H,116,144)(H,117,140)(H,118,147)(H,119,128)(H,120,133)(H,129,130)(H,131,132)(H,149,150)(H4,91,92,99)(H4,93,94,100)(H4,95,96,101)(H4,97,98,102)/t40-,41+,44-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,65-,66-/m0/s1 |
| InChiKey： | InChIKey=XJHLZPSQTHIVOU-GLZHKBKGSA-N |
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