basic_info |
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Product_Name: | Z-VAL-CIT-PABC-PNP |
EnglishSynonyms: | Z-VAL-CIT-PABC-PNP |
pro_mdlNumber: | MFCD22200443 |
pro_acceptors: | 16 |
pro_donors: | 5 |
pro_smile: | CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=O)N)C(=O)Nc1ccc(cc1)COC(=O)Oc2ccc(cc2)[N+](=O)[O-])NC(=O)OCc3ccccc3 |
InChi: | InChI=1S/C33H38N6O10/c1-21(2)28(38-32(43)47-19-22-7-4-3-5-8-22)30(41)37-27(9-6-18-35-31(34)42)29(40)36-24-12-10-23(11-13-24)20-48-33(44)49-26-16-14-25(15-17-26)39(45)46/h3-5,7-8,10-17,21,27-28H,6,9,18-20H2,1-2H3,(H,36,40)(H,37,41)(H,38,43)(H3,34,35,42)/t27-,28-/m0/s1 |
InChiKey: | InChIKey=VUNSZYXHZZYQAE-NSOVKSMOSA-N |
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