3-(3-azanyl-3-methyl-butyl)sulfanyl-6-(1-hydroxyethyl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 3-(3-azanyl-3-methyl-butyl)sulfanyl-6-(1-hydroxyethyl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-(3-amino-3-methyl-butyl)sulfanyl-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 3-[(3-amino-3-methylbutyl)thio]-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 3-(3-amino-3-methylbutyl)sulfanyl-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 3-[(3-amino-3-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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2N(C1=O)C(=C(S2)SCCC(C)(C)N)C(=O)O)O

Isomeric SMILES

CC(C1C2N(C1=O)C(=C(S2)SCCC(C)(C)N)C(=O)O)O

InChI

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