Molecule ID: 21158881

IUPAC Name: 2-[[(R)-[4-(aminomethyl)anilino]-[[(1R)-1-phenylethyl]amino]methyl]amino]ethane-1,1-diol

Description: The molecule is an optically active tetramine epitope consisting of three separate amino substituents attached to a central carbon. It has a role as an epitope. It is a tetramine and an aldehyde hydrate.

SMILES: C[C@@H](N[C@@H](NCC(O)O)Nc1ccc(CN)cc1)c1ccccc1

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

InChI: InChI=1S/C18H26N4O2/c1-13(15-5-3-2-4-6-15)21-18(20-12-17(23)24)22-16-9-7-14(11-19)8-10-16/h2-10,13,17-18,20-24H,11-12,19H2,1H3/t13-,18-/m1/s1

Molecular Properties:
- Polar Surface Area: 103.0 Ų
- LogP: 0.9