Basic Information |
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| Product Name： | BLOCKING PEPTIDE FOR PAB TO ER-BETA |
| English Synonyms： | BLOCKING PEPTIDE FOR PAB TO ESTROGEN RECEPTOR BETA ; BLOCKING PEPTIDE FOR PAB TO ER-BETA ; BLOCKING PEPTIDE FOR PAB TO ER-BETA (HUMAN) ; BLOCKING PEPTIDE FOR PAB TO ESTROGEN RECEPTOR BETA (HUMAN) |
| MDL Number.： | MFCD01863792 |
| H bond acceptor： | 60 |
| H bond donor： | 33 |
| Smile： | CC(C)C[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CS)N |
| InChi： | InChI=1S/C79H131N25O35S/c1-35(2)25-45(70(129)94-42(13-18-55(84)111)69(128)101-51(32-108)76(135)96-44(79(138)139)14-19-56(85)112)97-71(130)46(26-57(86)113)98-67(126)41(12-17-54(83)110)95-73(132)48(29-105)89-58(114)28-87-64(123)40(15-20-59(115)116)93-65(124)38(9-4-6-22-80)91-74(133)49(30-106)100-66(125)39(10-5-7-23-81)92-75(134)50(31-107)102-72(131)47(27-61(119)120)99-68(127)43(16-21-60(117)118)90-62(121)36(3)88-77(136)53-11-8-24-104(53)78(137)52(33-109)103-63(122)37(82)34-140/h35-53,105-109,140H,4-34,80-82H2,1-3H3,(H2,83,110)(H2,84,111)(H2,85,112)(H2,86,113)(H,87,123)(H,88,136)(H,89,114)(H,90,121)(H,91,133)(H,92,134)(H,93,124)(H,94,129)(H,95,132)(H,96,135)(H,97,130)(H,98,126)(H,99,127)(H,100,125)(H,101,128)(H,102,131)(H,103,122)(H,115,116)(H,117,118)(H,119,120)(H,138,139)/t36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-/m0/s1 |
| InChiKey： | InChIKey=ZVNSTKNSPKIRKY-MTFDYNJUSA-N |
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