Molecule ID: 25010763

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

Description: The molecule is an N,N-dihydroxy-alpha-amino acid having a 6-thiaheptyl substituent at the 2-position. It derives from a trihomomethionine. It is a conjugate acid of a N,N-dihydroxytrihomomethioninate.

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

SELFIES: [C][S][C][C][C][C][C][C][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)

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