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Inherent Properties, Identifiers and References
ChemSpider ID: 769
Empirical Formula: C6H13NO2
Molecular Weight: 131.1729
Nominal Mass: 131 Da
Average Mass: 131.1729 Da
Monoisotopic Mass: 131.094629 Da
Systematic Name: isoleucine
SMILES: O=C(O)C(N)C(C)CC Copy
InChI: InChI=1/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9) Copy
InChIKey: AGPKZVBTJJNPAG-UHFFFAOYAW
Std. InChI: InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9) Copy
Std. InChIKey: AGPKZVBTJJNPAG-UHFFFAOYSA-N
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