basic_info |
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| Product_Name： | 正亮克肽 |
| CAS： | 17692-62-5 |
| 中文同义词： | 正亮克肽 |
| EnglishSynonyms： | NORLEUSACTIDE |
| pro_mdlNumber： | MFCD09837783 |
| pro_acceptors： | 73 |
| pro_donors： | 43 |
| pro_smile： | CCCC[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc3c[nH]c4c3cccc4)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N5CCC[C@H]5C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N6CCC[C@H]6C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc7ccc(cc7)O)C(=O)N8CCC[C@H]8C(=O)N[C@@H](C(C)C)C(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc9ccc(cc9)O)NC(=O)[C@@H](CO)N |
| InChi： | InChI=1S/C142H222N42O31/c1-10-11-34-93(168-130(206)106(76-186)177-128(204)101(172-118(194)90(147)75-185)67-83-46-50-87(187)51-47-83)121(197)169-98(54-55-112(191)192)125(201)175-104(70-86-72-155-77-162-86)129(205)173-102(66-82-31-13-12-14-32-82)127(203)167-97(41-26-61-157-141(151)152)124(200)174-103(69-85-71-159-91-35-16-15-33-89(85)91)119(195)160-73-111(190)164-99(39-20-24-59-146)137(213)182-63-28-44-108(182)132(208)180-114(79(4)5)134(210)161-74-110(189)163-92(36-17-21-56-143)120(196)165-94(37-18-22-57-144)122(198)166-96(40-25-60-156-140(149)150)123(199)171-100(42-27-62-158-142(153)154)138(214)183-64-29-45-109(183)133(209)181-116(81(8)9)135(211)170-95(38-19-23-58-145)126(202)179-115(80(6)7)136(212)176-105(68-84-48-52-88(188)53-49-84)139(215)184-65-30-43-107(184)131(207)178-113(78(2)3)117(148)193/h12-16,31-33,35,46-53,71-72,77-81,90,92-109,113-116,159,185-188H,10-11,17-30,34,36-45,54-70,73-76,143-147H2,1-9H3,(H2,148,193)(H,155,162)(H,160,195)(H,161,210)(H,163,189)(H,164,190)(H,165,196)(H,166,198)(H,167,203)(H,168,206)(H,169,197)(H,170,211)(H,171,199)(H,172,194)(H,173,205)(H,174,200)(H,175,201)(H,176,212)(H,177,204)(H,178,207)(H,179,202)(H,180,208)(H,181,209)(H,191,192)(H4,149,150,156)(H4,151,152,157)(H4,153,154,158)/t90-,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,102+,103+,104+,105+,106+,107+,108+,109+,113+,114+,115+,116+/m1/s1 |
| InChiKey： | InChIKey=CGPQJXLDFSQATH-IOYXYJPMSA-N |
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