Molecule ID: 90657417

IUPAC Name: (2S)-2-(dihydroxyamino)-7-methylsulfanylheptanoic acid

Description: The molecule is an N,N-dihydroxy-L-polyhomomethionine in which there are five methylene groups between the alpha-carbon and sulfur atoms. It is a N,N-dihydroxy-L-polyhomomethionine and a N,N-dihydroxytrihomomethionine. It is a conjugate acid of a N,N-dihydroxy-L-trihomomethioninate.

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

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

InChI: InChI=1S/C8H17NO4S/c1-14-6-4-2-3-5-7(8(10)11)9(12)13/h7,12-13H,2-6H2,1H3,(H,10,11)/t7-/m0/s1

Molecular Properties:
- Polar Surface Area: 106.0 Ų
- LogP: -1.3