TUBACIN ,537049-40-4 _ChemCD

TUBACIN

basic_info
Product_Name：	TUBACIN
CAS：	537049-40-4
EnglishSynonyms：	N1-[4-[(2R,4R,6S)-4-[[(4,5-DIPHENYL-2-OXAZOLYL)THIO]METHYL]-6-[4-(HYDROXYMETHYL)PHENYL]-1,3-DIOXAN-2-YL]PHENYL]-N8-HYDROXY-OCTANEDIAMIDE ; TUBACIN ; N-(4-((2R,4R,6S)-4-([(4,5-DIPHENYL-1,3-OXAZOL-2-YL)SULFANYL]METHYL)-6-[4-(HYDROXYMETHYL)PHENYL]-1,3-DIOXAN-2-YL)PHENYL)-N'-HYDROXYOCTANEDIAMIDE
pro_mdlNumber：	MFCD18804186
pro_acceptors：	10
pro_donors：	4
pro_smile：	c1ccc(cc1)c2c(oc(n2)SC[C@H]3C[C@H](O[C@H](O3)c4ccc(cc4)NC(=O)CCCCCCC(=O)NO)c5ccc(cc5)CO)c6ccccc6
InChi：	InChI=1S/C41H43N3O7S/c45-26-28-17-19-29(20-18-28)35-25-34(27-52-41-43-38(30-11-5-3-6-12-30)39(51-41)31-13-7-4-8-14-31)49-40(50-35)32-21-23-33(24-22-32)42-36(46)15-9-1-2-10-16-37(47)44-48/h3-8,11-14,17-24,34-35,40,45,48H,1-2,9-10,15-16,25-27H2,(H,42,46)(H,44,47)/t34-,35+,40+/m1/s1
InChiKey：	InChIKey=BHUZLJOUHMBZQY-YXQOSMAKSA-N
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