Molecule ID: 90657416

IUPAC Name: (2S)-2-(dihydroxyamino)-7-methylsulfanylheptanoate

Description: The molecule is an N,N-dihydroxy-L-polyhomomethioninate that is the conjugate base of N,N-dihydroxy-L-trihomomethionine, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a N,N-dihydroxy-L-polyhomomethioninate and a N,N-dihydroxytrihomomethioninate. It is a conjugate base of a N,N-dihydroxy-L-trihomomethionine.

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-1][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)/p-1/t7-/m0/s1

Molecular Properties:
- Polar Surface Area: 109.0 Ų
- LogP: -0.6