Molecule ID: 5460353

IUPAC Name: (2S)-2-acetamido-6-oxoheptanedioate

Description: The molecule is dicarboxylate anion of (S)-2-acetamido-6-oxopimelic acid; major species at pH 7.3. It is a conjugate base of a (S)-2-acetamido-6-oxopimelic acid.

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

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

InChI: InChI=1S/C9H13NO6/c1-5(11)10-6(8(13)14)3-2-4-7(12)9(15)16/h6H,2-4H2,1H3,(H,10,11)(H,13,14)(H,15,16)/p-2/t6-/m0/s1

Molecular Properties:
- Polar Surface Area: 126.0 Ų
- LogP: 0.6