Molecule ID: 169148

IUPAC Name: (2S)-2-amino-5-[(N,N'-dimethylcarbamimidoyl)amino]pentanoic acid

Description: The molecule is a L-arginine derivative having two methyl groups at the N(omega)- and N'(omega)-positions It has a role as an EC 1.14.13.39 (nitric oxide synthase) inhibitor. It is a member of guanidines, a non-proteinogenic L-alpha-amino acid, a L-arginine derivative and a dimethylarginine. It is a tautomer of a N(omega),N'(omega)-dimethyl-L-arginine zwitterion.

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

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

InChI: InChI=1S/C8H18N4O2/c1-10-8(11-2)12-5-3-4-6(9)7(13)14/h6H,3-5,9H2,1-2H3,(H,13,14)(H2,10,11,12)/t6-/m0/s1

Molecular Properties:
- Polar Surface Area: 99.7 Ų
- LogP: -3.7