Molecule ID: 121945

IUPAC Name: (2S)-2-amino-6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanoic acid

Description: The molecule is an L-lysine derivative with a dansyl group at the N(6)-position. It has a role as an epitope. It is a L-lysine derivative, a non-proteinogenic L-alpha-amino acid and a sulfonamide.

SMILES: CN(C)c1cccc2c(S(=O)(=O)NCCCC[C@H](N)C(=O)O)cccc12

SELFIES: [C][N][Branch1][C][C][C][=C][C][=C][C][=C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][O][C][=C][C][=C][Ring2][Ring1][#Branch1][Ring2][Ring1][Ring1]

InChI: InChI=1S/C18H25N3O4S/c1-21(2)16-10-5-8-14-13(16)7-6-11-17(14)26(24,25)20-12-4-3-9-15(19)18(22)23/h5-8,10-11,15,20H,3-4,9,12,19H2,1-2H3,(H,22,23)/t15-/m0/s1

Molecular Properties:
- Polar Surface Area: 121.0 Ų
- LogP: -0.1