Basic Information |
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| Product Name： | SYSTEMIN |
| CAS： | 137181-56-7 |
| English Synonyms： | H-ALA-VAL-GLN-SER-LYS-PRO-PRO-SER-LYS-ARG-ASP-PRO-PRO-LYS-MET-GLN-THR-ASP-OH ; SYSTEMIN ; (ALA)(VAL)(GLN)(SER)(LYS)(PRO)(PRO)(SER)(LYS)(ARG)(ASP)(PRO)(PRO)(LYS)(MET)(GLN)(THR)(ASP) ; H2N-AVQSKPPSKRDPPKMQTD-OH ; AVQSKPPSKRDPPKMQTD ; SYSTEMIN (1-18) |
| MDL Number.： | MFCD00145346 |
| H bond acceptor： | 54 |
| H bond donor： | 28 |
| Smile： | CC(C)[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N3CCC[C@H]3C(=O)N4CCC[C@H]4C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@H](C)N |
| InChi： | InChI=1S/C85H144N26O28S/c1-43(2)65(106-67(121)44(3)89)78(132)100-49(25-27-61(90)115)71(125)104-55(41-112)75(129)101-52(19-8-11-32-88)80(134)110-36-15-23-59(110)82(136)109-35-14-22-58(109)77(131)105-56(42-113)74(128)96-46(17-6-9-30-86)68(122)95-48(20-12-33-94-85(92)93)70(124)102-53(39-63(117)118)81(135)111-37-16-24-60(111)83(137)108-34-13-21-57(108)76(130)99-47(18-7-10-31-87)69(123)98-51(29-38-140-5)72(126)97-50(26-28-62(91)116)73(127)107-66(45(4)114)79(133)103-54(84(138)139)40-64(119)120/h43-60,65-66,112-114H,6-42,86-89H2,1-5H3,(H2,90,115)(H2,91,116)(H,95,122)(H,96,128)(H,97,126)(H,98,123)(H,99,130)(H,100,132)(H,101,129)(H,102,124)(H,103,133)(H,104,125)(H,105,131)(H,106,121)(H,107,127)(H,117,118)(H,119,120)(H,138,139)(H4,92,93,94)/t44-,45+,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,65-,66-/m0/s1 |
| InChiKey： | InChIKey=LWKMQFABIRSLII-MGZLOUMQSA-N |
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