basic_info |
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Product_Name: | 7-METHOXYCOUMARIN-4ACETYL-ARG-PRO-LYS-PRO-TYR-ALA-L-NORVALINE-TRP-MET-E-DNP-L-LYSINE-NH2 |
EnglishSynonyms: | NFF 2 MMP SUBSTRATE ; 7-METHOXYCOUMARIN-4ACETYL-ARG-PRO-LYS-PRO-TYR-ALA-L-NORVALINE-TRP-MET-E-DNP-L-LYSINE-NH2 |
pro_mdlNumber: | MFCD17215326 |
pro_acceptors: | 38 |
pro_donors: | 16 |
pro_smile: | CCC[C@@H](C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCNc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc4ccc(cc4)O)NC(=O)[C@@H]5CCCN5C(=O)[C@H](CCCCN)NC(=O)[C@@H]6CCCN6C(=O)[C@H](CCCNC(=N)N)NCC(=O)c7cc(=O)oc8c7ccc(c8)OC |
InChi: | InChI=1S/C79H105N19O19S/c1-5-15-57(71(104)93-62(39-47-43-86-54-17-7-6-16-51(47)54)74(107)91-58(31-37-118-4)72(105)89-56(69(81)102)18-9-11-33-84-55-30-25-48(97(112)113)40-65(55)98(114)115)90-70(103)45(2)88-73(106)61(38-46-23-26-49(99)27-24-46)94-76(109)64-22-14-36-96(64)78(111)60(19-8-10-32-80)92-75(108)63-21-13-35-95(63)77(110)59(20-12-34-85-79(82)83)87-44-66(100)53-42-68(101)117-67-41-50(116-3)28-29-52(53)67/h6-7,16-17,23-30,40-43,45,56-64,84,86-87,99H,5,8-15,18-22,31-39,44,80H2,1-4H3,(H2,81,102)(H,88,106)(H,89,105)(H,90,103)(H,91,107)(H,92,108)(H,93,104)(H,94,109)(H4,82,83,85)/t45-,56-,57-,58-,59-,60-,61-,62-,63-,64-/m0/s1 |
InChiKey: | InChIKey=JTWCILRPJSBBBG-BULAGXLTSA-N |
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