Molecule ID: 108010

IUPAC Name: (2S)-2,7-diamino-7-iminoheptanoic acid

Description: The molecule is an alpha-amino acid that is 2,7-diaminoheptanoic acid substituted by a imino group at position 7 (the 2S stereoisomer). It has a role as a hepatotoxic agent and a plant metabolite. It is a carboxamidine and a non-proteinogenic L-alpha-amino acid.

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

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

InChI: InChI=1S/C7H15N3O2/c8-5(7(11)12)3-1-2-4-6(9)10/h5H,1-4,8H2,(H3,9,10)(H,11,12)/t5-/m0/s1

Molecular Properties:
- Polar Surface Area: 113.0 Ų
- LogP: -3.2