basic_info |
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Product_Name: | CGKPIPNPLLGLTST |
EnglishSynonyms: | CGKPIPNPLLGLTST ; V5 |
pro_mdlNumber: | MFCD09263408 |
pro_acceptors: | 37 |
pro_donors: | 18 |
pro_smile: | CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CS)N |
InChi: | InChI=1S/C67H115N17O20S/c1-11-36(8)52(79-62(98)48-20-15-22-82(48)64(100)40(17-12-13-21-68)73-50(89)29-71-55(91)39(69)32-105)66(102)84-24-16-19-47(84)61(97)77-44(28-49(70)88)65(101)83-23-14-18-46(83)60(96)76-43(27-35(6)7)57(93)75-41(25-33(2)3)56(92)72-30-51(90)74-42(26-34(4)5)58(94)80-53(37(9)86)63(99)78-45(31-85)59(95)81-54(38(10)87)67(103)104/h33-48,52-54,85-87,105H,11-32,68-69H2,1-10H3,(H2,70,88)(H,71,91)(H,72,92)(H,73,89)(H,74,90)(H,75,93)(H,76,96)(H,77,97)(H,78,99)(H,79,98)(H,80,94)(H,81,95)(H,103,104)/t36-,37+,38+,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,52-,53-,54-/m0/s1 |
InChiKey: | InChIKey=ULBKBPOBQJKPJV-KUJMIJDQSA-N |
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