(4S,5R,6R)-4-methyl-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-3-prop-1-en-2-yl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: (4S,5R,6R)-4-methyl-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-3-prop-1-en-2-yl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: (4S,5R,6R)-6-[(1R)-1-hydroxyethyl]-3-isopropenyl-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: (4S,5R,6R)-6-[(1R)-1-hydroxyethyl]-4-methyl-3-(1-methylethenyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: (4S,5R,6R)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-prop-1-en-2-yl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: (4S,5R,6R)-6-[(1R)-1-hydroxyethyl]-3-isopropenyl-7-keto-4-methyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(=O)N2C(=C1C(=C)C)C(=O)O)C(C)O

Isomeric SMILES

C[C@@H]1[C@@H]2[C@@H](C(=O)N2C(=C1C(=C)C)C(=O)O)[C@@H](C)O

InChI

InChI=1S/C13H17NO4/c1-5(2)8-6(3)10-9(7(4)15)12(16)14(10)11(8)13(17)18/h6-7,9-10,15H,1H2,2-4H3,(H,17,18)/t6-,7+,9-,10+/m0/s1