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88848-53-7 | 3-{[2-({2-[N-(3-DECANOYLOXYPROPYL)CARBAMOYL]PHENYL}DISULFANYL)PHENYL]CARBONYLAMINO}PROPYL DECANOATE
CAS No: 88848-53-7 Catalog No: AG004A56 MDL No:
Product Description
Catalog Number:
AG004A56
Chemical Name:
3-{[2-({2-[N-(3-DECANOYLOXYPROPYL)CARBAMOYL]PHENYL}DISULFANYL)PHENYL]CARBONYLAMINO}PROPYL DECANOATE
CAS Number:
88848-53-7
Molecular Formula:
C40H60N2O6S2
Molecular Weight:
729.0442
IUPAC Name:
3-[[2-[[2-(3-decanoyloxypropylcarbamoyl)phenyl]disulfanyl]benzoyl]amino]propyl decanoate
InChI:
InChI=1S/C40H60N2O6S2/c1-3-5-7-9-11-13-15-27-37(43)47-31-21-29-41-39(45)33-23-17-19-25-35(33)49-50-36-26-20-18-24-34(36)40(46)42-30-22-32-48-38(44)28-16-14-12-10-8-6-4-2/h17-20,23-26H,3-16,21-22,27-32H2,1-2H3,(H,41,45)(H,42,46)
InChI Key:
DJPULBNYGBQRIS-UHFFFAOYSA-N
SMILES:
CCCCCCCCCC(=O)OCCCNC(=O)c1ccccc1SSc1ccccc1C(=O)NCCCOC(=O)CCCCCCCCC
Properties
Complexity:
850
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
728.389g/mol
Formal Charge:
0
Heavy Atom Count:
50
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
729.048g/mol
Monoisotopic Mass:
728.389g/mol
Rotatable Bond Count:
31
Topological Polar Surface Area:
161A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.2
Literature
| Title | Journal |
|---|---|
| Synthesis and antibacterial activity of 2,2'-dithiobis(benzamide) derivatives against Mycobacterium species. | Journal of medicinal chemistry 19851201 |
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