3-(5-azanylpentan-2-ylsulfanyl)-6-(1-hydroxyethyl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 3-(5-azanylpentan-2-ylsulfanyl)-6-(1-hydroxyethyl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-(4-amino-1-methyl-butyl)sulfanyl-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 3-(5-aminopentan-2-ylthio)-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 3-(5-aminopentan-2-ylsulfanyl)-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 3-[(4-amino-1-methyl-butyl)thio]-6-(1-hydroxyethyl)-7-keto-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C13H20N2O4S2 MolecularWeight: 332.4389

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCCN)SC1=C(N2C(S1)C(C2=O)C(C)O)C(=O)O

Isomeric SMILES

CC(CCCN)SC1=C(N2C(S1)C(C2=O)C(C)O)C(=O)O

InChI

InChI=1S/C13H20N2O4S2/c1-6(4-3-5-14)20-13-9(12(18)19)15-10(17)8(7(2)16)11(15)21-13/h6-8,11,16H,3-5,14H2,1-2H3,(H,18,19)