Antibiotic NS 5; 1',2'-Didehydro, N-Ac
AlkaPlorer ID: AK288554
Synonym: Antibiotic PS 7, PS 7, 3-[[(2-Acetylamino)ethenyl]thio]-6-ethyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
IUPAC Name: 3-(2-acetamidoethenylsulfanyl)-6-ethyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Structure
SMILES: CCC1C(=O)N2C(C(=O)O)=C(SC=CNC(C)=O)CC12
InChI: InChI=1S/C13H16N2O4S/c1-3-8-9-6-10(20-5-4-14-7(2)16)11(13(18)19)15(9)12(8)17/h4-5,8-9H,3,6H2,1-2H3,(H,14,16)(H,18,19)
InChIKey: PQZKMTPCUYSWBM-UHFFFAOYSA-N
Source
Properties Information
Molecule Weight: 296.34800000000007
TPSA？: 86.71000000000001
MolLogP？: 1.2638
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 2
Activities Information
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