Molecule ID: 9942496

IUPAC Name: 2-[[(2R)-2-amino-3-nitrososulfanylpropanoyl]amino]acetic acid

Description: The molecule is a dipeptide resulting from the formal condensation of the carboxylic acid group of S-nitroso-L-cysteine with the amino group of glycine. It is a dipeptide, a nitroso compound and a nitrosothio compound.

SMILES: N[C@@H](CSN=O)C(O)=NCC(=O)O

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

InChI: InChI=1S/C5H9N3O4S/c6-3(2-13-8-12)5(11)7-1-4(9)10/h3H,1-2,6H2,(H,7,11)(H,9,10)/t3-/m0/s1

Molecular Properties:
- Polar Surface Area: 147.0 Ų
- LogP: -4.1