basic_info |
|
| Product_Name： | MZ-4-71 |
| EnglishSynonyms： | MZ-4-71 ; 2-METHYLPROPIONYL-TYR-D-ARG-ASP-ALA-ILE-(PCL)PHE-THR-ASN-SER-TYR-ARG-LYS-VAL-LEU-ABU-GLN-LEU-SER-ALA-ARG-LYS-LEU-LEU-GLN-ASP-ILE-NLE-SER-AGM |
| pro_mdlNumber： | MFCD01076530 |
| pro_acceptors： | 88 |
| pro_donors： | 54 |
| pro_smile： | CCCC[C@@H](C(=O)N[C@@H](CO)C(=O)NCCCCNC(=N)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccc(cc2)Cl)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccc(cc3)O)NC(=O)C(C)C |
| InChi： | InChI=1S/C158H263ClN46O42/c1-22-26-36-96(135(228)199-114(75-206)129(222)173-60-31-32-61-174-155(165)166)188-152(245)124(85(18)24-3)204-148(241)113(74-121(217)218)195-137(230)103(55-57-118(163)213)187-141(234)104(65-78(5)6)192-142(235)105(66-79(7)8)190-133(226)97(37-27-29-58-160)182-131(224)99(39-33-62-175-156(167)168)181-127(220)86(19)179-149(242)115(76-207)200-143(236)106(67-80(9)10)191-136(229)102(54-56-117(162)212)186-130(223)95(25-4)180-140(233)107(68-81(11)12)196-151(244)122(82(13)14)202-138(231)98(38-28-30-59-161)183-132(225)100(40-34-63-176-157(169)170)184-145(238)109(71-91-46-52-94(211)53-47-91)193-150(243)116(77-208)201-146(239)111(72-119(164)214)198-154(247)125(88(21)209)205-147(240)110(69-89-42-48-92(159)49-43-89)197-153(246)123(84(17)23-2)203-128(221)87(20)178-139(232)112(73-120(215)216)194-134(227)101(41-35-64-177-158(171)172)185-144(237)108(189-126(219)83(15)16)70-90-44-50-93(210)51-45-90/h42-53,78-88,95-116,122-125,206-211H,22-41,54-77,160-161H2,1-21H3,(H2,162,212)(H2,163,213)(H2,164,214)(H,173,222)(H,178,232)(H,179,242)(H,180,233)(H,181,220)(H,182,224)(H,183,225)(H,184,238)(H,185,237)(H,186,223)(H,187,234)(H,188,245)(H,189,219)(H,190,226)(H,191,229)(H,192,235)(H,193,243)(H,194,227)(H,195,230)(H,196,244)(H,197,246)(H,198,247)(H,199,228)(H,200,236)(H,201,239)(H,202,231)(H,203,221)(H,204,241)(H,205,240)(H,215,216)(H,217,218)(H4,165,166,174)(H4,167,168,175)(H4,169,170,176)(H4,171,172,177)/t84-,85-,86-,87-,88+,95-,96-,97-,98-,99-,100-,101+,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,122-,123-,124-,125-/m0/s1 |
| InChiKey： | InChIKey=WMAJVGJEAZNGHQ-IKGWLKAISA-N |
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