Basic Information |
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| Product Name： | CALCINEURIN SUBSTRATE |
| CAS： | 113873-67-9 |
| English Synonyms： | CALCINEURIN SUBSTRATE ; DLDVPIPGRFDRRVSVAAE ; PYR-QDYTGWMDF-NH2 ; PP2B, NON-PHOSPHORYLATED ; CERULEIN ; CERULETID ; H-ASP-LEU-ASP-VAL-PRO-ILE-PRO-GLY-ARG-PHE-ASP-ARG-ARG-VAL-SER-VAL-ALA-ALA-GLU-OH ; CALCINEURIN SUBSTRATE, NON-PHOSPHORYLATED ; CAERULEIN (DESULFATED) ; CERULETIDA ; ASP-LEU-ASP-VAL-PRO-ILE-PRO-GLY-ARG-PHE-ASP-ARG-ARG-VAL-SER-VAL-ALA-ALA-GLU ; CERULETIDUM ; CERULETIDE ; TAKUS |
| MDL Number.： | MFCD00236901 |
| H bond acceptor： | 57 |
| H bond donor： | 32 |
| Smile： | CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@@H]3CCCN3C(=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)O)N |
| InChi： | InChI=1S/C92H150N28O29/c1-13-47(10)71(118-84(143)62-28-21-35-120(62)87(146)70(46(8)9)117-81(140)59(40-67(129)130)113-78(137)56(36-43(2)3)110-74(133)51(93)38-65(125)126)88(147)119-34-20-27-61(119)83(142)103-41-63(122)106-52(24-17-31-100-90(94)95)75(134)111-57(37-50-22-15-14-16-23-50)79(138)112-58(39-66(127)128)80(139)108-53(25-18-32-101-91(96)97)76(135)107-54(26-19-33-102-92(98)99)77(136)115-69(45(6)7)86(145)114-60(42-121)82(141)116-68(44(4)5)85(144)105-48(11)72(131)104-49(12)73(132)109-55(89(148)149)29-30-64(123)124/h14-16,22-23,43-49,51-62,68-71,121H,13,17-21,24-42,93H2,1-12H3,(H,103,142)(H,104,131)(H,105,144)(H,106,122)(H,107,135)(H,108,139)(H,109,132)(H,110,133)(H,111,134)(H,112,138)(H,113,137)(H,114,145)(H,115,136)(H,116,141)(H,117,140)(H,118,143)(H,123,124)(H,125,126)(H,127,128)(H,129,130)(H,148,149)(H4,94,95,100)(H4,96,97,101)(H4,98,99,102)/t47-,48-,49-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,68-,69-,70-,71-/m0/s1 |
| InChiKey： | InChIKey=CNNRZOUCQVLOST-RBHZDPOXSA-N |
Property |
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Safety information |
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| WGK Germany： | 3 |
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