Basic Information |
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Product Name: | BETA-SECRETASE SUBSTRATE I, FLUOROGENIC |
English Synonyms: | MCA-EVKMDAEFK(DNP)-NH2 ; MCA-GLU-VAL-LYS-MET-ASP-ALA-GLU-PHE-LYS(DNP)-NH2 ; BETA-SECRETASE SUBSTRATE I, FLUOROGENIC |
MDL Number.: | MFCD03453570 |
H bond acceptor: | 37 |
H bond donor: | 15 |
Smile: | CC(C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])C(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)c3cc(=O)oc4c3ccc(c4)OC |
InChi: | InChI=1S/C65H86N14O23S/c1-34(2)55(77-62(93)45(22-24-52(82)83)72-58(89)40-32-54(86)102-50-31-38(101-4)18-19-39(40)50)65(96)74-43(16-9-11-26-66)59(90)73-46(25-28-103-5)61(92)76-48(33-53(84)85)63(94)69-35(3)57(88)71-44(21-23-51(80)81)60(91)75-47(29-36-13-7-6-8-14-36)64(95)70-42(56(67)87)15-10-12-27-68-41-20-17-37(78(97)98)30-49(41)79(99)100/h6-8,13-14,17-20,30-32,34-35,42-48,55,68H,9-12,15-16,21-29,33,66H2,1-5H3,(H2,67,87)(H,69,94)(H,70,95)(H,71,88)(H,72,89)(H,73,90)(H,74,96)(H,75,91)(H,76,92)(H,77,93)(H,80,81)(H,82,83)(H,84,85)/t35-,42-,43-,44-,45-,46-,47-,48-,55-/m0/s1 |
InChiKey: | InChIKey=TZVJJGFIELURBX-KMBXWDFCSA-N |
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