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167173-85-5 | Propanoic acid, 2-methyl-, (3S,6S,7R,8R)-3-[[(3-hydroxy-4-methoxy-2-pyridinyl)carbonyl]amino]-6-methyl-4,9-dioxo-8-(phenylmethyl)-1,5-dioxonan-7-yl ester
CAS No: 167173-85-5 Catalog No: AG001X6B MDL No:
Product Description
Catalog Number:
AG001X6B
Chemical Name:
Propanoic acid, 2-methyl-, (3S,6S,7R,8R)-3-[[(3-hydroxy-4-methoxy-2-pyridinyl)carbonyl]amino]-6-methyl-4,9-dioxo-8-(phenylmethyl)-1,5-dioxonan-7-yl ester
CAS Number:
167173-85-5
Molecular Formula:
C26H30N2O9
Molecular Weight:
514.5244
IUPAC Name:
[(3S,6S,7R,8R)-8-benzyl-3-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-6-methyl-4,9-dioxo-1,5-dioxonan-7-yl] 2-methylpropanoate
InChI:
InChI=1S/C26H30N2O9/c1-14(2)24(31)37-22-15(3)36-26(33)18(28-23(30)20-21(29)19(34-4)10-11-27-20)13-35-25(32)17(22)12-16-8-6-5-7-9-16/h5-11,14-15,17-18,22,29H,12-13H2,1-4H3,(H,28,30)/t15-,17+,18-,22-/m0/s1
InChI Key:
MLGCATYQZVMGBG-PBWVOLNLSA-N
SMILES:
COc1ccnc(c1O)C(=O)N[C@H]1COC(=O)[C@@H]([C@H]([C@@H](OC1=O)C)OC(=O)C(C)C)Cc1ccccc1
Properties
Complexity:
814
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
514.195g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
514.531g/mol
Monoisotopic Mass:
514.195g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
150A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Literature
| Title | Journal |
|---|---|
| [Recent advances in the study of antifungal lead compounds with new chemical scaffolds]. | Yao xue xue bao = Acta pharmaceutica Sinica 20071101 |
| Structure-activity relationship studies on UK-2A, a novel antifungal antibiotic from Streptomyces sp. 517-02. Part 5: Roles of the 9-membered dilactone-ring moiety in respiratory inhibition. | Bioorganic & medicinal chemistry letters 20060615 |
| UK-2A, B, C and D, novel antifungal antibiotics from Streptomyces sp. 517-02 VI (2). Structure-activity relationships of UK-2A. | The Journal of antibiotics 20020601 |
| UK-2A, B, C, and D, novel antifungal antibiotics from Streptomyces sp. 517-02 VII. Membrane injury induced by C9-UK-2A, a derivative of UK-2A, in Rhodotorula mucilaginosa IFO 0001. | The Journal of antibiotics 20020301 |
| UK-2A, B, C and D, novel antifungal antibiotics from Streptomyces sp. 517-02. VI(1). Structure-activity relationships of UK-2A. | The Journal of antibiotics 20010701 |
| Emerging novel antifungal agents. | Drug discovery today 20000101 |
| UK-2A, B, C and D, novel antifungal antibiotics from Streptomyces sp. 517-02. I. Fermentation, isolation, and biological properties. | The Journal of antibiotics 19960701 |
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