Thienamycin; 6,8-Diepimer, 1',2'-didehydro, N-Ac, O-sulfate, S-oxide
AlkaPlorer ID: AK315954
Synonym: Antibiotic MM 4550A, MC 696-SY2A, Antibiotic MC 696-SY2A, MM 4450A, Antibiotic MM 4450
IUPAC Name: 3-(2-acetamidoethenylsulfinyl)-7-oxo-6-(1-sulfooxyethyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Structure
SMILES: CC(O)=NC=CS(=O)C1=C(C(=O)O)N2C(=O)C(C(C)OS(=O)(=O)O)C2C1
InChI: InChI=1S/C13H16N2O9S2/c1-6(24-26(21,22)23)10-8-5-9(25(20)4-3-14-7(2)16)11(13(18)19)15(8)12(10)17/h3-4,6,8,10H,5H2,1-2H3,(H,14,16)(H,18,19)(H,21,22,23)
InChIKey: OIUMWDNCAIKVGD-UHFFFAOYSA-N
Source
Properties Information
Molecule Weight: 408.41000000000014
TPSA？: 170.87
MolLogP？: -0.0824999999999991
Number of H-Donors: 3
Number of H-Acceptors: 7
RingCount: 2
Activities Information
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