Name: | NFF-2 |
CAS: | 158584-08-8 |
Synonyms: | MCA-ARG-PRO-LYS-PRO-TYR-ALA-NVA-TRP-MET-LYS(DNP)-NH2 ; MCA-RPKPYA-NVA-WM-K(DNP)-NH2 ; 7-METHOXYCOUMARIN-4-ACETYL-ARG-PRO-LYS-PRO-TYR-ALA-NVA-TRP-MET-(2,4-DINITROPHENYL)LYS AMIDE ; NFF-2 ; MOCAC-ARG-PRO-LYS-PRO-TYR-ALA-NVA-TRP-MET-LYS(DNP)-NH2 |
MDL.: | MFCD00671408 |
H bond acceptor: | 38 |
H bond donor: | 16 |
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)NC(=O)Cc7cc(=O)oc8c7ccc(c8)OC |
InChi: | InChI=1S/C79H105N19O19S/c1-5-15-57(71(104)93-62(39-48-44-86-54-17-7-6-16-52(48)54)74(107)91-58(31-37-118-4)72(105)89-56(69(81)102)18-9-11-33-84-55-30-25-49(97(112)113)42-65(55)98(114)115)90-70(103)45(2)87-73(106)61(38-46-23-26-50(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)88-67(100)40-47-41-68(101)117-66-43-51(116-3)28-29-53(47)66/h6-7,16-17,23-30,41-45,56-64,84,86,99H,5,8-15,18-22,31-40,80H2,1-4H3,(H2,81,102)(H,87,106)(H,88,100)(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=PMQNLFGGVGXOSM-BULAGXLTSA-N |
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Safety information |
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WGK Germany: | 3 |
NFF-2
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