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2256-76-0

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Basic Information
CAS No.: 2256-76-0
Name: AC-ILE-OME
Molecular Structure:
Molecular Structure of 2256-76-0 (AC-ILE-OME)
Formula: C9H17NO3
Molecular Weight: 187.239
Synonyms: N-Acetyl-L-isoleucine methyl ester;
Density: 0.999±0.06 g/cm3(Predicted)
Melting Point: 54.0-55.0 °C
Boiling Point: 291.7±13.0 °C(Predicted)
PSA: 55.40000
LogP: 1.10110
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Specification

The L-Isoleucine,N-acetyl-, methyl ester, with the CAS registry number of 2256-76-0, is also known as N-Acetyl-L-isoleucine methyl ester. It belongs to the product categories of Amino Acid Derivatives; Amino Acids. This chemical's molecular formula is C9H17NO3 and molecular weight is 187.24. What's more, its systematic name is Methyl N-acetyl-L-isoleucinate.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(C)N[C@@H](C(C)CC)C(=O)OC
(2) InChI: InChI=1/C9H17NO3/c1-5-6(2)8(9(12)13-4)10-7(3)11/h6,8H,5H2,1-4H3,(H,10,11)/t6?,8-/m0/s1
(3) InChIKey: JPQWQTHLAKUOOA-XDKWHASVBF