Molecule ID: 39836

IUPAC Name: methyl (2S)-2-amino-5-[[amino(nitramido)methylidene]amino]pentanoate

Description: The molecule is an alpha-amino acid ester that is the methyl ester of N(gamma)-nitro-L-arginine. It has a role as an EC 1.14.13.39 (nitric oxide synthase) inhibitor. It is an alpha-amino acid ester, a L-arginine derivative, a N-nitro compound and a methyl ester. It is a conjugate base of a N(gamma)-nitro-L-arginine methyl ester(1+).

SMILES: COC(=O)[C@@H](N)CCCNC(=N)N[N+](=O)[O-]

SELFIES: [C][O][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][C][N][C][=Branch1][C][=N][N][N+1][=Branch1][C][=O][O-1]

InChI: InChI=1S/C7H15N5O4/c1-16-6(13)5(8)3-2-4-10-7(9)11-12(14)15/h5H,2-4,8H2,1H3,(H3,9,10,11)/t5-/m0/s1

Molecular Properties:
- Polar Surface Area: 149.0 Ų
- LogP: -1.0