Basic Information |
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Product Name: | BIOTIN-X-D-PHE-PRO-ARG-CHLOROMETHYLKETONE, 2HCL |
English Synonyms: | BIOTIN-X-D-PHE-PRO-ARG-CHLOROMETHYLKETONE, 2HCL ; PPACK, DIHYDROCHLORIDE, BIOTINYLATED |
MDL Number.: | MFCD13631999 |
H bond acceptor: | 15 |
H bond donor: | 8 |
Smile: | c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)CCl)NC(=O)CCCCCNC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4.Cl.Cl |
InChi: | InChI=1S/C37H56ClN9O6S.2ClH/c38-22-29(48)25(13-9-19-42-36(39)40)44-34(51)28-14-10-20-47(28)35(52)26(21-24-11-3-1-4-12-24)43-32(50)17-5-2-8-18-41-31(49)16-7-6-15-30-33-27(23-54-30)45-37(53)46-33;;/h1,3-4,11-12,25-28,30,33H,2,5-10,13-23H2,(H,41,49)(H,43,50)(H,44,51)(H4,39,40,42)(H2,45,46,53);2*1H/t25-,26+,27-,28-,30-,33-;;/m0../s1 |
InChiKey: | InChIKey=XMWMUFDFYCGGTD-LJSPBPMBSA-N |
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