基本信息 |
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产品名称: | 异噻唑,5-(1,2-二甲基肼基)-3,4-二甲基- |
CAS: | 85139-12-4 |
中文同义词: | 异噻唑,5-(1,2-二甲基肼基)-3,4-二甲基- |
英文同义词: | H 142 |
MDL号: | MFCD00155649 |
氢键受体数量: | 28 |
氢键供体数量: | 14 |
Smile: | CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]4CCCN4C(=O)[C@H](Cc5c[nH]cn5)NC(=O)[C@@H]6CCCN6 |
InChi: | InChI=1S/C60H89N17O11/c1-7-36(6)50(58(85)73-46(26-39-29-63-32-67-39)53(80)69-42(60(87)88)17-11-12-20-61)76-57(84)49(35(4)5)75-55(82)43(23-34(2)3)70-54(81)45(25-38-28-62-31-66-38)71-52(79)44(24-37-15-9-8-10-16-37)72-56(83)48-19-14-22-77(48)59(86)47(27-40-30-64-33-68-40)74-51(78)41-18-13-21-65-41/h8-10,15-16,28-36,41-50,65H,7,11-14,17-27,61H2,1-6H3,(H,62,66)(H,63,67)(H,64,68)(H,69,80)(H,70,81)(H,71,79)(H,72,83)(H,73,85)(H,74,78)(H,75,82)(H,76,84)(H,87,88)/t36-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1 |
InChiKey: | InChIKey=PDGSVHFYYGPHSO-WPAFGJSOSA-N |
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