基本信息 |
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产品名称: | L-ILE-SER-ASP-ARG-ASP-TYR(SO3H)-MET-GLY-TRP-MET-ASP-PHE-NH2 |
英文同义词: | L-ILE-SER-ASP-ARG-ASP-TYR(SO3H)-MET-GLY-TRP-MET-ASP-PHE-NH2 |
MDL号: | MFCD00272969 |
氢键受体数量: | 40 |
氢键供体数量: | 22 |
Smile: | CC[C@H](C)[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(cc1)OS(=O)(=O)O)C(=O)N[C@@H](CCSC)C(=O)NCC(=O)N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc4ccccc4)C(=O)N)N |
InChi: | InChI=1S/C68H95N17O23S3/c1-5-35(2)56(69)67(104)85-51(34-86)66(103)84-48(29-53(88)89)63(100)77-42(16-11-23-73-68(71)72)59(96)82-50(31-55(92)93)65(102)81-46(27-37-17-19-39(20-18-37)108-111(105,106)107)61(98)78-43(21-24-109-3)58(95)75-33-52(87)76-47(28-38-32-74-41-15-10-9-14-40(38)41)62(99)79-44(22-25-110-4)60(97)83-49(30-54(90)91)64(101)80-45(57(70)94)26-36-12-7-6-8-13-36/h6-10,12-15,17-20,32,35,42-51,56,74,86H,5,11,16,21-31,33-34,69H2,1-4H3,(H2,70,94)(H,75,95)(H,76,87)(H,77,100)(H,78,98)(H,79,99)(H,80,101)(H,81,102)(H,82,96)(H,83,97)(H,84,103)(H,85,104)(H,88,89)(H,90,91)(H,92,93)(H4,71,72,73)(H,105,106,107)/t35-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,56-/m0/s1 |
InChiKey: | InChIKey=GSSYMEMQQLUCPE-KMUOOEOCSA-N |
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