Molecule ID: 107968

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

Description: The molecule is an L-arginine derivative in which the guanidino NH2 group of L-arginine is replaced by a methylsufanyl group. It has a role as an EC 1.14.13.39 (nitric oxide synthase) inhibitor and a neuroprotective agent. It is a L-arginine derivative, a L-ornithine derivative, a non-proteinogenic L-alpha-amino acid and an imidothiocarbamic ester.

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

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

InChI: InChI=1S/C7H15N3O2S/c1-13-7(9)10-4-2-3-5(8)6(11)12/h5H,2-4,8H2,1H3,(H2,9,10)(H,11,12)/t5-/m0/s1

Molecular Properties:
- Polar Surface Area: 127.0 Ų
- LogP: -2.7