Molecule ID: 77879312

IUPAC Name: 3-(2-aminoethylsulfanyl)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Description: The molecule is a beta-lactam that is 7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid carring an additional (2-aminoethyl)sulfanyl substituent at position 3. An intermediate in the biosynthesis of carbapenem. It has a role as a bacterial metabolite. It is a beta-lactam, an aliphatic sulfide, a monocarboxylic acid, an organic heterobicyclic compound and a primary amino compound.

SMILES: NCCSC1CC2CC(=O)N2C1C(=O)O

SELFIES: [N][C][C][S][C][C][C][C][C][=Branch1][C][=O][N][Ring1][Branch1][C][Ring1][Branch2][C][=Branch1][C][=O][O]

InChI: InChI=1S/C9H14N2O3S/c10-1-2-15-6-3-5-4-7(12)11(5)8(6)9(13)14/h5-6,8H,1-4,10H2,(H,13,14)

Molecular Properties:
- Polar Surface Area: 109.0 Ų
- LogP: -3.2