Molecule ID: 12164856

IUPAC Name: (2S)-2-(15N)azanyl-3-(113C)methyl(1,2,3,4-13C4)butanoic acid

Description: The molecule is an L-alpha-amino acid that is L-valine in which all five carbons are (13)C isotopes while the nitrogen is the (15)N isotope. It is a L-alpha-amino acid, a valine, a (13)C-modified compound and a (15)N-modified compound.

SMILES: [13CH3][13CH]([13CH3])[13C@H]([15NH2])[13C](=O)O

SELFIES: [13CH3][13CH1][Branch1][C][13CH3][13C@H1][Branch1][C][15NH2][13C][=Branch1][C][=O][O]

InChI: InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1/i1+1,2+1,3+1,4+1,5+1,6+1

Molecular Properties:
- Polar Surface Area: 63.3 Ų
- LogP: -2.3