Molecule ID: 72973

IUPAC Name: [(3S)-3-amino-3-carboxypropyl]-methylimino-oxidoazanium

Description: The molecule is a non-proteinogenic alpha-amino acid that is (2S)-2-aminobutanoic acid substituted by a (Z)-methyl-NNO-azoxy moiety at position 4. It is an antibiotic isolated from the culture broth of Bacillus cereus and exhibits antifungal activity. It has a role as an antimicrobial agent, an antifungal agent and a bacterial metabolite. It is an azoxy compound and a non-proteinogenic alpha-amino acid.

SMILES: CN=[N+]([O-])CC[C@H](N)C(=O)O

SELFIES: [C][N][=N+1][Branch1][C][O-1][C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][O]

InChI: InChI=1S/C5H11N3O3/c1-7-8(11)3-2-4(6)5(9)10/h4H,2-3,6H2,1H3,(H,9,10)/t4-/m0/s1

Molecular Properties:
- Polar Surface Area: 104.0 Ų
- LogP: -3.5