Basic Information |
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| Product Name： | CATESTATIN, HUMAN |
| English Synonyms： | H-SER-SER-MET-LYS-LEU-SER-PHE-ARG-ALA-ARG-ALA-TYR-GLY-PHE-ARG-GLY-PRO-GLY-PRO-LEU-OH ; CATESTATIN, HUMAN ; SSMKLSFRARAYGFRGPGPL |
| MDL Number.： | MFCD11113648 |
| H bond acceptor： | 55 |
| H bond donor： | 33 |
| Smile： | CC(C)C[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N4CCC[C@H]4C(=O)NCC(=O)N5CCC[C@H]5C(=O)NC(CC(C)C)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](CO)N |
| InChi： | InChI=1S/C99H156N30O25S/c1-54(2)43-68(123-87(144)64(25-14-15-36-100)119-88(145)67(35-42-155-7)121-92(149)73(52-131)126-82(139)62(101)51-130)89(146)127-74(53-132)93(150)124-71(46-59-23-12-9-13-24-59)91(148)120-66(28-18-39-110-99(106)107)86(143)114-56(5)80(137)117-65(27-17-38-109-98(104)105)85(142)115-57(6)81(138)122-69(47-60-31-33-61(133)34-32-60)84(141)111-48-77(134)116-70(45-58-21-10-8-11-22-58)90(147)118-63(26-16-37-108-97(102)103)83(140)112-49-78(135)128-40-19-29-75(128)94(151)113-50-79(136)129-41-20-30-76(129)95(152)125-72(96(153)154)44-55(3)4/h8-13,21-24,31-34,54-57,62-76,130-133H,14-20,25-30,35-53,100-101H2,1-7H3,(H,111,141)(H,112,140)(H,113,151)(H,114,143)(H,115,142)(H,116,134)(H,117,137)(H,118,147)(H,119,145)(H,120,148)(H,121,149)(H,122,138)(H,123,144)(H,124,150)(H,125,152)(H,126,139)(H,127,146)(H,153,154)(H4,102,103,108)(H4,104,105,109)(H4,106,107,110)/t56-,57-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72?,73-,74-,75-,76-/m0/s1 |
| InChiKey： | InChIKey=BQZUQEAJSOZCSB-ZZAZLVETSA-N |
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