Molecule ID: 138911170

IUPAC Name: 5-[[(2S)-1-(carboxymethylamino)-1-oxobutan-2-yl]amino]-2,5-dioxopentanoic acid

Description: The molecule is a dipeptide that is N-[(2S)-2-aminobutanoyl]glycine in which the terminal amino group has been acylated by formal condensation of the 5-carboxy group of 2-oxopentanedioic acid. It is a dipeptide, a secondary carboxamide and an oxo dicarboxylic acid. It is a conjugate acid of a N-(4-carboxy-4-oxobutanoyl)-L-ethylglycylglycine(2-).

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][C][C][C][=Branch1][C][=O][C][=Branch1][C][=O][O][C][Branch1][C][O][=N][C][C][=Branch1][C][=O][O]

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)/t6-/m0/s1

Molecular Properties:
- Polar Surface Area: 150.0 Ų
- LogP: -1.3