Molecule ID: 25010762

IUPAC Name: 2-(dihydroxyamino)-8-methylsulfanyloctanoic acid

Description: The molecule is an N,N-dihydroxy-alpha-amino acid having a 7-thiaoctyl substituent at the 2-position. It derives from a tetrahomomethionine. It is a conjugate acid of a N,N-dihydroxytetrahomomethioninate.

SMILES: CSCCCCCCC(C(=O)O)N(O)O

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

InChI: InChI=1S/C9H19NO4S/c1-15-7-5-3-2-4-6-8(9(11)12)10(13)14/h8,13-14H,2-7H2,1H3,(H,11,12)

Molecular Properties:
- Polar Surface Area: 106.0 Ų
- LogP: -0.7