Molecule ID: 440349

IUPAC Name: (2S)-2-(3-carboxypropanoylamino)-6-oxoheptanedioic acid

Description: The molecule is a tricarboxylic acid consisting of L-2-amino-6-oxoheptanedioic acid having a succinoyl group attached to the nitrogen. It derives from a pimelic acid. It is a conjugate acid of a L-2-succinylamino-6-oxoheptanedioate(3-).

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

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

InChI: InChI=1S/C11H15NO8/c13-7(11(19)20)3-1-2-6(10(17)18)12-8(14)4-5-9(15)16/h6H,1-5H2,(H,12,14)(H,15,16)(H,17,18)(H,19,20)/t6-/m0/s1

Molecular Properties:
- Polar Surface Area: 158.0 Ų
- LogP: -1.3