basic_info |
|
| Product_Name： | BEACON (47-73) |
| EnglishSynonyms： | BEACON (47-73) |
| pro_mdlNumber： | MFCD11617346 |
| pro_acceptors： | 81 |
| pro_donors： | 45 |
| pro_smile： | CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)N[C@@H](Cc3ccc(cc3)O)C(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc4ccc(cc4)O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc5c[nH]cn5)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc6ccccc6)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc7ccc(cc7)O)NC(=O)[C@H](Cc8c[nH]c9c8cccc9)N |
| InChi： | InChI=1S/C156H217N35O46S/c1-15-81(11)129(153(233)186-112(63-90-70-161-75-166-90)145(225)183-115(66-125(206)207)134(214)165-72-121(200)168-102(51-53-238-14)137(217)182-114(65-120(160)199)146(226)177-105(55-78(5)6)139(219)171-100(46-49-123(202)203)136(216)176-106(56-79(7)8)140(220)178-109(60-87-33-41-94(196)42-34-87)144(224)179-108(59-86-31-39-93(195)40-32-86)143(223)173-103(156(236)237)45-48-119(159)198)189-138(218)101(47-50-124(204)205)172-141(221)107(58-85-29-37-92(194)38-30-85)180-147(227)116(67-126(208)209)169-122(201)73-164-133(213)104(54-77(3)4)175-151(231)118(74-192)187-152(232)128(80(9)10)188-150(230)113(64-91-71-162-76-167-91)181-148(228)117(68-127(210)211)184-135(215)99(28-22-23-52-157)170-142(222)110(57-84-24-18-17-19-25-84)185-154(234)130(82(12)16-2)190-155(235)131(83(13)193)191-149(229)111(61-88-35-43-95(197)44-36-88)174-132(212)97(158)62-89-69-163-98-27-21-20-26-96(89)98/h17-21,24-27,29-44,69-71,75-83,97,99-118,128-131,163,192-197H,15-16,22-23,28,45-68,72-74,157-158H2,1-14H3,(H2,159,198)(H2,160,199)(H,161,166)(H,162,167)(H,164,213)(H,165,214)(H,168,200)(H,169,201)(H,170,222)(H,171,219)(H,172,221)(H,173,223)(H,174,212)(H,175,231)(H,176,216)(H,177,226)(H,178,220)(H,179,224)(H,180,227)(H,181,228)(H,182,217)(H,183,225)(H,184,215)(H,185,234)(H,186,233)(H,187,232)(H,188,230)(H,189,218)(H,190,235)(H,191,229)(H,202,203)(H,204,205)(H,206,207)(H,208,209)(H,210,211)(H,236,237)/t81-,82-,83+,97-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,128-,129-,130-,131-/m0/s1 |
| InChiKey： | InChIKey=VYMAVKNBMOHDGK-HNQCNCAKSA-N |
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