(5R,6S)-3-[(3S)-1-(3-azanyl-3-oxidanylidene-propanimidoyl)pyrrolidin-3-yl]-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: (5R,6S)-3-[(3S)-1-(3-azanyl-3-oxidanylidene-propanimidoyl)pyrrolidin-3-yl]-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: (5R,6S)-3-[(3S)-1-(3-amino-3-oxo-propanimidoyl)pyrrolidin-3-yl]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: (5R,6S)-3-[(3S)-1-(3-amino-1-imino-3-oxopropyl)-3-pyrrolidinyl]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: (5R,6S)-3-[(3S)-1-(3-amino-3-oxopropanimidoyl)pyrrolidin-3-yl]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: (5R,6S)-3-[(3S)-1-(3-amino-3-keto-propanimidoyl)pyrrolidin-3-yl]-6-[(1R)-1-hydroxyethyl]-7-keto-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C16H22N4O5 MolecularWeight: 350.36968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2CC(=C(N2C1=O)C(=O)O)C3CCN(C3)C(=N)CC(=O)N)O

Isomeric SMILES

C[C@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)O)[C@@H]3CCN(C3)C(=N)CC(=O)N)O

InChI

InChI=1S/C16H22N4O5/c1-7(21)13-10-4-9(14(16(24)25)20(10)15(13)23)8-2-3-19(6-8)11(17)5-12(18)22/h7-8,10,13,17,21H,2-6H2,1H3,(H2,18,22)(H,24,25)/t7-,8-,10-,13-/m1/s1