Free release

PENIMOCYCLINE

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Name: PENIMOCYCLINE
CAS: 16259-34-0
Synonyms: PENIMOCYCLINE
MDL.: MFCD00865148
H bond acceptor: 17
H bond donor: 9
Smile: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c3ccccc3)NCNC(=O)C4=C([C@H](C5CC6C(=C([C@@]5(C4=O)O)O)C(=O)c7c(cccc7O)[C@@]6(C)O)N(C)C)O)C(=O)O)C
InChi: InChI=1S/C39H43N5O12S/c1-37(2)29(36(53)54)44-34(52)25(35(44)57-37)42-33(51)24(16-10-7-6-8-11-16)40-15-41-32(50)23-28(47)26(43(4)5)19-14-18-22(30(48)39(19,56)31(23)49)27(46)21-17(38(18,3)55)12-9-13-20(21)45/h6-13,18-19,24-26,29,35,40,45,47-48,55-56H,14-15H2,1-5H3,(H,41,50)(H,42,51)(H,53,54)/t18?,19?,24-,25-,26+,29+,35-,38-,39+/m1/s1
InChiKey: InChIKey=ZVVMCQBZCQRRME-SQGBCGNVSA-N

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