6-(2-azanylpentanoylamino)-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Systemtic Name: 6-(2-azanylpentanoylamino)-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: 6-(2-aminopentanoylamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: 6-[(2-amino-1-oxopentyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: 6-(2-aminopentanoylamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: 6-(2-aminopentanoylamino)-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C13H21N3O4S MolecularWeight: 315.38854

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NC1C2N(C1=O)C(C(S2)(C)C)C(=O)O)N

Isomeric SMILES

CCCC(C(=O)NC1C2N(C1=O)C(C(S2)(C)C)C(=O)O)N

InChI

InChI=1S/C13H21N3O4S/c1-4-5-6(14)9(17)15-7-10(18)16-8(12(19)20)13(2,3)21-11(7)16/h6-8,11H,4-5,14H2,1-3H3,(H,15,17)(H,19,20)