Molecule ID: 440321

IUPAC Name: (2S,6S)-2-acetamido-6-aminoheptanedioic acid

Description: The molecule is an amino dicarboxylic acid. It derives from a LL-2,6-diaminopimelic acid. It is a conjugate acid of a N-acetyl-LL-2,6-diaminopimelate(1-) and a N-acetyl-LL-2,6-diaminopimelate(2-).

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

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

InChI: InChI=1S/C9H16N2O5/c1-5(12)11-7(9(15)16)4-2-3-6(10)8(13)14/h6-7H,2-4,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)/t6-,7-/m0/s1

Molecular Properties:
- Polar Surface Area: 130.0 Ų
- LogP: -3.4