Molecule ID: 123831

IUPAC Name: (2S)-2-amino-5-[[amino(dimethylamino)methylidene]amino]pentanoic acid

Description: The molecule is a L-arginine derivative having two methyl groups both attached to the primary amino moiety of the guanidino group. It has a role as an EC 1.14.13.39 (nitric oxide synthase) inhibitor. It is a non-proteinogenic L-alpha-amino acid, a member of guanidines, a L-arginine derivative and a dimethylarginine. It is a conjugate base of a N(omega),N(omega)-dimethyl-L-argininium(1+).

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

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

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

Molecular Properties:
- Polar Surface Area: 105.0 Ų
- LogP: -3.6