Molecule ID: 6603945

IUPAC Name: (2S)-2-acetamido-3-methyl-3-nitrososulfanylbutanoic acid

Description: The molecule is a nitroso compound that is N-acetyl-D-penicillamine in which the sulfanyl hydrogen is replaced by a nitroso group. It has a role as a nitric oxide donor and a vasodilator agent. It is a nitroso compound and a nitrosothio compound. It derives from a N-acetyl-D-penicillamine.

SMILES: CC(O)=N[C@@H](C(=O)O)C(C)(C)SN=O

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

InChI: InChI=1S/C7H12N2O4S/c1-4(10)8-5(6(11)12)7(2,3)14-9-13/h5H,1-3H3,(H,8,10)(H,11,12)/t5-/m0/s1

Molecular Properties:
- Polar Surface Area: 121.0 Ų
- LogP: -0.3