Molecule ID: 4447

IUPAC Name: 2-[[(benzhydrylamino)-(4-cyanoanilino)methylidene]amino]acetic acid

Description: The molecule is a trisubstituted guanidine, carrying 4-cyanophenyl, diphenylmethyl and carboxymethyl substituents, which is known to act as a highly potent sweetening agent. It has a role as an epitope and a sweetening agent. It is a glycine derivative and a member of guanidines.

SMILES: N#Cc1ccc(NC(=NCC(=O)O)NC(c2ccccc2)c2ccccc2)cc1

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

InChI: InChI=1S/C23H20N4O2/c24-15-17-11-13-20(14-12-17)26-23(25-16-21(28)29)27-22(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,22H,16H2,(H,28,29)(H2,25,26,27)

Molecular Properties:
- Polar Surface Area: 97.5 Ų
- LogP: 3.7