(5R,6S)-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-3-[4-(pyridin-4-ylcarbamoylamino)phenyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: (5R,6S)-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-3-[4-(pyridin-4-ylcarbamoylamino)phenyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[4-(4-pyridylcarbamoylamino)phenyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[4-[[oxo-(pyridin-4-ylamino)methyl]amino]phenyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[4-(pyridin-4-ylcarbamoylamino)phenyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-keto-3-[4-(4-pyridylcarbamoylamino)phenyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C21H20N4O5 MolecularWeight: 408.4073

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2CC(=C(N2C1=O)C(=O)O)C3=CC=C(C=C3)NC(=O)NC4=CC=NC=C4)O

Isomeric SMILES

C[C@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)O)C3=CC=C(C=C3)NC(=O)NC4=CC=NC=C4)O

InChI

InChI=1S/C21H20N4O5/c1-11(26)17-16-10-15(18(20(28)29)25(16)19(17)27)12-2-4-13(5-3-12)23-21(30)24-14-6-8-22-9-7-14/h2-9,11,16-17,26H,10H2,1H3,(H,28,29)(H2,22,23,24,30)/t11-,16-,17-/m1/s1