Caperatic acid

Product description:It is anti-TB drugs for the treatment of tuberculosis
Synonyms:
Caperatic acid 
SPECTRUM240927
SDCCGMLS-0066511.P001
NCGC00095553-01
2-Hydroxy-1,2,3-heptadecanetricarboxylic acid monomethyl ester
29227-64-3
Properties Computed from Structure:
Molecular Weight 402.52222 [g/mol] 
Molecular Formula C21H38O7 
XLogP 4.3 
H-Bond Donor 3 
H-Bond Acceptor 7 
Rotatable Bond Count 19 
Exact Mass 402.261754 
MonoIsotopic Mass 402.261754 
Topological Polar Surface Area 121 
Heavy Atom Count 28 
Formal Charge 0 
Complexity 464 
Isotope Atom Count 0 
Defined Atom StereoCenter Count 0 
Undefined Atom StereoCenter Count 2 
Defined Bond StereoCenter Count 0 
Undefined Bond StereoCenter Count 0 
Covalently-Bonded Unit Count 1 
Descriptors Computed from Structure:
IUPAC Name: 2-hydroxy-2-(2-methoxy-2-oxoethyl)-3-tetradecylbutanedioic acid
Canonical SMILES: CCCCCCCCCCCCCCC(C(=O)O)C(CC(=O)OC)(C(=O)O)O
InChI: InChI=1/C21H38O7/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17(19(23)24)21(27,
20(25)26)16-18(22)28-2/h17,27H,3-16H2,1-2H3,(H,23,24)(H,25,26)/f/h23,25H