Molecule ID: 70788966

IUPAC Name: (2S)-2-amino-6-(2,4-dinitroanilino)hexanamide

Description: The molecule is an amino acid amide that is L-lysinamide substituted on the nitrogen at position 6 by a 2,4-dinitrophenyl group. It has a role as an epitope. It contains a 2,4-dinitrophenyl group. It derives from a L-lysinamide.

SMILES: N=C(O)[C@@H](N)CCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

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

InChI: InChI=1S/C12H17N5O5/c13-9(12(14)18)3-1-2-6-15-10-5-4-8(16(19)20)7-11(10)17(21)22/h4-5,7,9,15H,1-3,6,13H2,(H2,14,18)/t9-/m0/s1

Molecular Properties:
- Polar Surface Area: 173.0 Ų
- LogP: 1.2