Molecule ID: 138911169

IUPAC Name: 5-[[(2S)-1-(carboxylatomethylamino)-1-oxobutan-2-yl]amino]-2,5-dioxopentanoate

Description: The molecule is a dicarboxylic acid dianion resulting from the deprotonation of both of the carboxy groups of N-(4-carboxy-4-oxobutanoyl)-L-ethylglycylglycine. The major species at pH 7.3. It is a conjugate base of a N-(4-carboxy-4-oxobutanoyl)-L-ethylglycylglycine.

SMILES: CC[C@H](N=C([O-])CCC(=O)C(=O)O)C(O)=NCC(=O)[O-]

SELFIES: [C][C][C@H1][Branch1][P][N][=C][Branch1][C][O-1][C][C][C][=Branch1][C][=O][C][=Branch1][C][=O][O][C][Branch1][C][O][=N][C][C][=Branch1][C][=O][O-1]

InChI: InChI=1S/C11H16N2O7/c1-2-6(10(18)12-5-9(16)17)13-8(15)4-3-7(14)11(19)20/h6H,2-5H2,1H3,(H,12,18)(H,13,15)(H,16,17)(H,19,20)/p-2/t6-/m0/s1

Molecular Properties:
- Polar Surface Area: 156.0 Ų
- LogP: 0.0