Molecule ID: 71464583

IUPAC Name: (2S)-2-amino-6-[[6-[(2S)-2-amino-2-carboxyethyl]-3,4-dioxocyclohexa-1,5-dien-1-yl]amino]hexanoic acid

Description: The molecule is an L-lysine derivative in which one of the amino hydrogens at N(6)-amino is substituted by a 6-[(2S)-2-amino-2-carboxyethyl]-3,4-dioxocyclohexa-1,5-dien-1-yl group. It is a L-lysine derivative, a L-tyrosine derivative, a non-proteinogenic L-alpha-amino acid and a member of 1,2-benzoquinones.

SMILES: N[C@@H](CCCCNC1=CC(=O)C(=O)C=C1C[C@H](N)C(=O)O)C(=O)O

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

InChI: InChI=1S/C15H21N3O6/c16-9(14(21)22)3-1-2-4-18-11-7-13(20)12(19)6-8(11)5-10(17)15(23)24/h6-7,9-10,18H,1-5,16-17H2,(H,21,22)(H,23,24)/t9-,10-/m0/s1

Molecular Properties:
- Polar Surface Area: 173.0 Ų
- LogP: -6.2