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157998-96-4 | Butanoic acid, 2-amino-4-[(1Z)-methyl-NNO-azoxy]-, (2S)- (9CI)
CAS No: 157998-96-4 Catalog No: AG001PVV MDL No:
Product Description
Catalog Number:
AG001PVV
Chemical Name:
Butanoic acid, 2-amino-4-[(1Z)-methyl-NNO-azoxy]-, (2S)- (9CI)
CAS Number:
157998-96-4
Molecular Formula:
C5H11N3O3
Molecular Weight:
161.1591
IUPAC Name:
[(3S)-3-amino-3-carboxypropyl]-methylimino-oxidoazanium
InChI:
InChI=1S/C5H11N3O3/c1-7-8(11)3-2-4(6)5(9)10/h4H,2-3,6H2,1H3,(H,9,10)/t4-/m0/s1
InChI Key:
KFZWEFIJHQUPCM-BYPYZUCNSA-N
SMILES:
C/N=[N+](/CC[C@@H](C(=O)O)N)\[O-]
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
161.08g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
161.161g/mol
Monoisotopic Mass:
161.08g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.5
Literature
| Title | Journal |
|---|---|
| Simultaneous in vitro assay of the first four enzymes in the fungal aspartate pathway identifies a new class of aspartate kinase inhibitor. | Chemistry & biology 20031001 |
| Emerging novel antifungal agents. | Drug discovery today 20000101 |
| A new methionine antagonist that has antifungal activity: mode of action. | The Journal of antibiotics 19940801 |
| Synthesis and structure-activity relationships of a novel antifungal agent, azoxybacilin. | Chemical & pharmaceutical bulletin 19940801 |
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