Molecule ID: 7005101

IUPAC Name: (2R)-2-benzamido-5-(diaminomethylideneazaniumyl)pentanoate

Description: The molecule is zwitterionic form of N-benzoyl-D-arginine resulting from transfer of a proton from the carboxy to the guanidino group; major species at pH 7.3. It is a tautomer of a N-benzoyl-D-arginine.

SMILES: N=C(N)NCCC[C@@H](N=C(O)c1ccccc1)C(=O)O

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

InChI: InChI=1S/C13H18N4O3/c14-13(15)16-8-4-7-10(12(19)20)17-11(18)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H,17,18)(H,19,20)(H4,14,15,16)/t10-/m1/s1

Molecular Properties:
- Polar Surface Area: 135.0 Ų
- LogP: 0.6