basic_info |
|
Product_Name: | MEI-BIS(PR-PHE-CIT-PABC-PNP) |
EnglishSynonyms: | MEI-BIS(PR-PHE-CIT-PABC-PNP) |
pro_mdlNumber: | MFCD22381202 |
pro_acceptors: | 34 |
pro_donors: | 10 |
pro_smile: | c1ccc(cc1)C[C@@H](C(=O)N[C@@H](CCCNC(=O)N)C(=O)Nc2ccc(cc2)COC(=O)Oc3ccc(cc3)[N+](=O)[O-])NC(=O)CCN(CCC(=O)N[C@@H](Cc4ccccc4)C(=O)N[C@@H](CCCNC(=O)N)C(=O)Nc5ccc(cc5)COC(=O)Oc6ccc(cc6)[N+](=O)[O-])CCN7C(=O)C=CC7=O |
InChi: | InChI=1S/C70H76N14O20/c71-67(93)73-35-7-13-55(63(89)75-49-19-15-47(16-20-49)43-101-69(95)103-53-27-23-51(24-28-53)83(97)98)79-65(91)57(41-45-9-3-1-4-10-45)77-59(85)33-37-81(39-40-82-61(87)31-32-62(82)88)38-34-60(86)78-58(42-46-11-5-2-6-12-46)66(92)80-56(14-8-36-74-68(72)94)64(90)76-50-21-17-48(18-22-50)44-102-70(96)104-54-29-25-52(26-30-54)84(99)100/h1-6,9-12,15-32,55-58H,7-8,13-14,33-44H2,(H,75,89)(H,76,90)(H,77,85)(H,78,86)(H,79,91)(H,80,92)(H3,71,73,93)(H3,72,74,94)/t55-,56-,57-,58-/m0/s1 |
InChiKey: | InChIKey=DRNIGMDPFAUKNL-FFWKYUIQSA-N |
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