Molecule ID: 118987291

IUPAC Name: [4-[[(1S)-1-carboxy-3-methylbutyl]carbamoyl]-3-naphthalen-1-ylphenyl]-(1H-imidazol-5-ylmethyl)azanium

Description: The molecule is an organic cation obtained by protonation of GGTI-2133 free base. It is an ammonium ion derivative and an organic cation. It is a conjugate acid of a GGTI-2133 free base.

SMILES: CC(C)C[C@H](N=C(O)c1ccc(NCc2c[nH+]c[nH]2)cc1-c1cccc2ccccc12)C(=O)O

SELFIES: [C][C][Branch1][C][C][C][C@H1][Branch2][Ring2][#Branch1][N][=C][Branch1][C][O][C][=C][C][=C][Branch1][#Branch2][N][C][C][=C][NH1+1][=C][NH1][Ring1][Branch1][C][=C][Ring1][=N][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=Branch1][C][=O][O]

InChI: InChI=1S/C27H28N4O3/c1-17(2)12-25(27(33)34)31-26(32)23-11-10-19(29-15-20-14-28-16-30-20)13-24(23)22-9-5-7-18-6-3-4-8-21(18)22/h3-11,13-14,16-17,25,29H,12,15H2,1-2H3,(H,28,30)(H,31,32)(H,33,34)/p+1/t25-/m0/s1

Molecular Properties:
- Polar Surface Area: 112.0 Ų
- LogP: 5.0