Molecule ID: 11948934

IUPAC Name: (2S,6S)-2-azaniumyl-6-(3-carboxylatopropanoylamino)heptanedioate

Description: The molecule is dianion of N-succinyl-LL-2,6-diaminopimelic acid having anionic carboxy groups and an ionic primary amino group; major species at pH 7.3. It is a conjugate base of a N-succinyl-LL-2,6-diaminopimelic acid.

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

SELFIES: [N][C@@H1][Branch2][Ring1][Branch2][C][C][C][C@H1][Branch1][=N][N][=C][Branch1][C][O-1][C][C][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O]

InChI: InChI=1S/C11H18N2O7/c12-6(10(17)18)2-1-3-7(11(19)20)13-8(14)4-5-9(15)16/h6-7H,1-5,12H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/p-2/t6-,7-/m0/s1

Molecular Properties:
- Polar Surface Area: 177.0 Ų
- LogP: -2.0