Niltubacin

8-[4-[(2R,4R,6S)-4-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanylmethyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]anilino]-8-oxooctanoic acid

Also Known As: Probes1_000174|Probes2_000141|DIOX-H_003550|DIOX-H_007150|8-[4-[(2R,4R,6S)-4-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanylmethyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]anilino]-8-oxooctanoic acid|N/A|rel-8-((4-((2R,4R,6S)-4-(((4,5-Diphenyloxazol-2-yl)thio)methyl)-6-(4-(hydroxymethyl)phenyl)-1,3-dioxan-2-yl)phenyl)amino)-8-oxooctanoic acid

Molecular Formula	C41H42N2O7S
Molecular Weight	706.2713 g/mol
LogP	9.2023
Topological Polar Surface Area	131.12 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	8
Rotatable Bonds	16
Exact Mass	706.2713
Monoisotopic Mass	706.2713
Heavy Atoms	51
Complexity	1790.2356

Chemical Identifiers

CAS Number	560102-50-3
SMILES	C1[C@@H](O[C@@H](O[C@@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)NC(=O)CCCCCCC(=O)O)CSC4=NC(=C(O4)C5=CC=CC=C5)C6=CC=CC=C6