基本信息 |
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| 产品名称： | SER-ALA-ASN-SER-ASN-PRO-ALA-NLE-ALA-PRO-ARG-GLU-ARG-LYS-ALA-GLY-CYS-LYS-ASN-PHE-PHE-TRP-LYS-THR-PHE-THR-SER-CYS |
| 英文同义词： | [NLE8] SOMATOSTATIN (1-28) ; SER-ALA-ASN-SER-ASN-PRO-ALA-NLE-ALA-PRO-ARG-GLU-ARG-LYS-ALA-GLY-CYS-LYS-ASN-PHE-PHE-TRP-LYS-THR-PHE-THR-SER-CYS |
| MDL号： | MFCD00080115 |
| 氢键受体数量： | 80 |
| 氢键供体数量： | 46 |
| Smile： | CCCC[C@@H](C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@H]2CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)CCCCN)CC(=O)N)Cc3ccccc3)Cc4ccccc4)Cc5c[nH]c6c5cccc6)CCCCN)[C@@H](C)O)Cc7ccccc7)[C@@H](C)O)CO)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]8CCCN8C(=O)[C@H](CC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)N |
| InChi： | InChI=1S/C138H209N41O39S2/c1-8-9-38-83(159-111(192)72(4)156-130(211)101-45-30-55-179(101)135(216)96(62-105(145)187)172-127(208)97(66-181)173-125(206)94(60-103(143)185)166-112(193)71(3)154-113(194)81(142)65-180)115(196)157-73(5)134(215)178-54-29-46-102(178)131(212)165-88(44-28-53-151-138(148)149)117(198)164-89(47-48-107(189)190)119(200)161-87(43-27-52-150-137(146)147)116(197)160-84(40-21-24-49-139)114(195)155-70(2)110(191)153-64-106(188)158-99-68-219-220-69-100(136(217)218)175-128(209)98(67-182)174-133(214)109(75(7)184)177-126(207)92(58-78-35-17-12-18-36-78)171-132(213)108(74(6)183)176-120(201)86(42-23-26-51-141)162-123(204)93(59-79-63-152-82-39-20-19-37-80(79)82)169-122(203)91(57-77-33-15-11-16-34-77)167-121(202)90(56-76-31-13-10-14-32-76)168-124(205)95(61-104(144)186)170-118(199)85(163-129(99)210)41-22-25-50-140/h10-20,31-37,39,63,70-75,81,83-102,108-109,152,180-184H,8-9,21-30,38,40-62,64-69,139-142H2,1-7H3,(H2,143,185)(H2,144,186)(H2,145,187)(H,153,191)(H,154,194)(H,155,195)(H,156,211)(H,157,196)(H,158,188)(H,159,192)(H,160,197)(H,161,200)(H,162,204)(H,163,210)(H,164,198)(H,165,212)(H,166,193)(H,167,202)(H,168,205)(H,169,203)(H,170,199)(H,171,213)(H,172,208)(H,173,206)(H,174,214)(H,175,209)(H,176,201)(H,177,207)(H,189,190)(H,217,218)(H4,146,147,150)(H4,148,149,151)/t70-,71-,72-,73-,74+,75+,81-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,108-,109-/m0/s1 |
| InChiKey： | InChIKey=DNQPHLWCWMNEDQ-TUTRNIBOSA-N |
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