Basic Information |
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| Product Name： | ECDYSIS-TRIGGERING HORMONE |
| English Synonyms： | MAS-ETH ; ECDYSIS-TRIGGERING HORMONE |
| MDL Number.： | MFCD23381255 |
| H bond acceptor： | 74 |
| H bond donor： | 40 |
| Smile： | CC[C@H](C)[C@@H](C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCSC)C(=O)NCC(=O)N[C@@H](Cc3ccc(cc3)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CO)N |
| InChi： | InChI=1S/C127H206N36O38S3/c1-14-64(6)99(158-104(179)67(9)141-108(183)78(39-41-96(174)175)147-114(189)83(55-91(132)169)151-105(180)72(130)61-164)123(198)156-87(62-165)125(200)162-48-25-32-88(162)120(195)154-82(53-69-27-18-17-19-28-69)113(188)153-86(58-97(176)177)116(191)146-77(38-40-90(131)168)106(181)139-59-94(172)142-80(44-52-204-13)111(186)148-79(43-51-203-12)107(182)140-60-95(173)143-81(54-70-34-36-71(167)37-35-70)117(192)157-98(63(4)5)121(196)159-100(65(7)15-2)122(197)150-75(30-21-23-46-129)112(187)161-102(68(10)166)124(199)155-84(56-92(133)170)115(190)145-74(29-20-22-45-128)110(185)152-85(57-93(134)171)118(193)160-101(66(8)16-3)126(201)163-49-26-33-89(163)119(194)149-76(31-24-47-138-127(136)137)109(184)144-73(103(135)178)42-50-202-11/h17-19,27-28,34-37,63-68,72-89,98-102,164-167H,14-16,20-26,29-33,38-62,128-130H2,1-13H3,(H2,131,168)(H2,132,169)(H2,133,170)(H2,134,171)(H2,135,178)(H,139,181)(H,140,182)(H,141,183)(H,142,172)(H,143,173)(H,144,184)(H,145,190)(H,146,191)(H,147,189)(H,148,186)(H,149,194)(H,150,197)(H,151,180)(H,152,185)(H,153,188)(H,154,195)(H,155,199)(H,156,198)(H,157,192)(H,158,179)(H,159,196)(H,160,193)(H,161,187)(H,174,175)(H,176,177)(H4,136,137,138)/t64-,65-,66-,67-,68+,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,98-,99-,100-,101-,102-/m0/s1 |
| InChiKey： | InChIKey=ZQMRTHHCUZCQIG-NGWPYPDRSA-N |
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