basic_info |
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| Product_Name： | 甲基硫酸二(2-羟基丙基)甲基-2-[(1-羰基十八烷基)氧代]丙基铵 |
| CAS： | 396716-14-6 |
| 中文同义词： | 甲基硫酸二(2-羟基丙基)甲基-2-[(1-羰基十八烷基)氧代]丙基铵 |
| EnglishSynonyms： | TACE FRET SUBSTRATE I ; DABCYL-LEU-ALA-GLN-ALA-VAL-ARG-SER-SER-SER-ARG-EDANS ; ADAM-17 SUBSTRATE II, FLUOROGENIC ; TNF-ALPHA CONVERTASE ENZYME SUBSTRATE II, FLUOROGENIC ; DABCYL-LAQAVRSSSR-EDANS ; TACE SUBSTRATE III, FLUOROGENIC ; ADAM-17 SUBSTRATE III, FLUOROGENIC ; DABCYL-TNF-ALPHA-EDANS (-4 TO 6), HUMAN |
| pro_mdlNumber： | MFCD00798779 |
| pro_acceptors： | 40 |
| pro_donors： | 23 |
| pro_smile： | CC(C)C[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCNc1cccc2c1cccc2S(=O)(=O)O)NC(=O)c3ccc(cc3)/N=N/c4ccc(cc4)N(C)C |
| InChi： | InChI=1S/C70H104N22O18S/c1-37(2)33-51(85-60(99)41-19-21-42(22-20-41)90-91-43-23-25-44(26-24-43)92(7)8)64(103)81-39(5)58(97)82-50(27-28-56(71)96)62(101)80-40(6)59(98)89-57(38(3)4)68(107)84-49(17-12-30-79-70(74)75)63(102)86-53(35-94)66(105)88-54(36-95)67(106)87-52(34-93)65(104)83-48(16-11-29-78-69(72)73)61(100)77-32-31-76-47-15-9-14-46-45(47)13-10-18-55(46)111(108,109)110/h9-10,13-15,18-26,37-40,48-54,57,76,93-95H,11-12,16-17,27-36H2,1-8H3,(H2,71,96)(H,77,100)(H,80,101)(H,81,103)(H,82,97)(H,83,104)(H,84,107)(H,85,99)(H,86,102)(H,87,106)(H,88,105)(H,89,98)(H4,72,73,78)(H4,74,75,79)(H,108,109,110)/b91-90+/t39-,40-,48-,49-,50-,51-,52-,53-,54-,57-/m0/s1 |
| InChiKey： | InChIKey=NLLNLPZJUJVHNC-HFPGJXGBSA-N |
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English![甲基硫酸二(2-羟基丙基)甲基-2-[(1-羰基十八烷基)氧代]丙基铵](http://www.chemcd.com/createImage?smile=CC%28C%29C%5BC%40%40H%5D%28C%28%3DO%29N%5BC%40%40H%5D%28C%29C%28%3DO%29N%5BC%40%40H%5D%28CCC%28%3DO%29N%29C%28%3DO%29N%5BC%40%40H%5D%28C%29C%28%3DO%29N%5BC%40%40H%5D%28C%28C%29C%29C%28%3DO%29N%5BC%40%40H%5D%28CCCNC%28%3DN%29N%29C%28%3DO%29N%5BC%40%40H%5D%28CO%29C%28%3DO%29N%5BC%40%40H%5D%28CO%29C%28%3DO%29N%5BC%40%40H%5D%28CO%29C%28%3DO%29N%5BC%40%40H%5D%28CCCNC%28%3DN%29N%29C%28%3DO%29NCCNc1cccc2c1cccc2S%28%3DO%29%28%3DO%29O%29NC%28%3DO%29c3ccc%28cc3%29%2FN%3DN%2Fc4ccc%28cc4%29N%28C%29C&size=web.jpg)