basic_info |
|
| Product_Name: | ALPHA B-CRYSTALLIN (73-92) |
| EnglishSynonyms: | DRFSVNLDVKHFSPEELKVK ; H-ASP-ARG-PHE-SER-VAL-ASN-LEU-ASP-VAL-LYS-HIS-PHE-SER-PRO-GLU-GLU-LEU-LYS-VAL-LYS-OH ; ALPHA B-CRYSTALLIN (73-92) |
| pro_mdlNumber: | MFCD11113627 |
| pro_acceptors: | 61 |
| pro_donors: | 34 |
| pro_smile: | CC(C)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc3c[nH]cn3)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)N |
| InChi: | InChI=1S/C108H171N29O32/c1-55(2)43-70(94(155)120-65(30-18-21-39-110)93(154)134-86(58(7)8)104(165)124-69(107(168)169)31-19-22-40-111)125-92(153)67(34-36-81(141)142)121-91(152)68(35-37-82(143)144)122-102(163)79-33-24-42-137(79)106(167)78(53-139)133-97(158)73(46-61-27-15-12-16-28-61)128-98(159)74(47-62-51-116-54-118-62)129-89(150)64(29-17-20-38-109)123-103(164)85(57(5)6)135-100(161)76(50-84(147)148)130-95(156)71(44-56(3)4)126-99(160)75(49-80(113)140)131-105(166)87(59(9)10)136-101(162)77(52-138)132-96(157)72(45-60-25-13-11-14-26-60)127-90(151)66(32-23-41-117-108(114)115)119-88(149)63(112)48-83(145)146/h11-16,25-28,51,54-59,63-79,85-87,138-139H,17-24,29-50,52-53,109-112H2,1-10H3,(H2,113,140)(H,116,118)(H,119,149)(H,120,155)(H,121,152)(H,122,163)(H,123,164)(H,124,165)(H,125,153)(H,126,160)(H,127,151)(H,128,159)(H,129,150)(H,130,156)(H,131,166)(H,132,157)(H,133,158)(H,134,154)(H,135,161)(H,136,162)(H,141,142)(H,143,144)(H,145,146)(H,147,148)(H,168,169)(H4,114,115,117)/t63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,85-,86-,87-/m0/s1 |
| InChiKey: | InChIKey=BYEYJZKSZYYZOH-LEUDDDSUSA-N |
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