Basic Information |
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| Product Name： | ER BETA, IMMUNIZING PEPTIDE |
| English Synonyms： | YAEPQKSPWCEARSLEHT ; ER BETA, IMMUNIZING PEPTIDE |
| MDL Number.： | MFCD02682928 |
| H bond acceptor： | 56 |
| H bond donor： | 31 |
| Smile： | CC(C)C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H]([C@@H](C)O)C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](Cc2c[nH]c3c2cccc3)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]5CCCN5C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc6ccc(cc6)O)N |
| InChi： | InChI=1S/C93H138N26O30S/c1-45(2)35-62(83(139)107-60(25-29-72(127)128)82(138)112-64(38-51-40-99-44-102-51)85(141)117-74(48(5)122)92(148)149)111-86(142)65(41-120)114-79(135)57(16-10-32-100-93(97)98)105-75(131)47(4)104-78(134)59(24-28-71(125)126)108-87(143)67(43-150)116-84(140)63(37-50-39-101-55-14-7-6-13-53(50)55)113-89(145)69-18-12-34-119(69)91(147)66(42-121)115-80(136)56(15-8-9-31-94)106-81(137)58(23-27-70(96)124)109-88(144)68-17-11-33-118(68)90(146)61(26-30-73(129)130)110-76(132)46(3)103-77(133)54(95)36-49-19-21-52(123)22-20-49/h6-7,13-14,19-22,39-40,44-48,54,56-69,74,101,120-123,150H,8-12,15-18,23-38,41-43,94-95H2,1-5H3,(H2,96,124)(H,99,102)(H,103,133)(H,104,134)(H,105,131)(H,106,137)(H,107,139)(H,108,143)(H,109,144)(H,110,132)(H,111,142)(H,112,138)(H,113,145)(H,114,135)(H,115,136)(H,116,140)(H,117,141)(H,125,126)(H,127,128)(H,129,130)(H,148,149)(H4,97,98,100)/t46-,47-,48+,54-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,74-/m0/s1 |
| InChiKey： | InChIKey=IVKARMXBNLQXDJ-JXVCSDJFSA-N |
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