disodium 6-[[2-cyclohexa-1,4-dien-1-yl-2-[(6-oxidanyl-4-oxidanylidene-1H-pyridin-3-yl)carbonylamino]ethanoyl]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: disodium 6-[[2-cyclohexa-1,4-dien-1-yl-2-[(6-oxidanyl-4-oxidanylidene-1H-pyridin-3-yl)carbonylamino]ethanoyl]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: disodium 6-[[2-cyclohexa-1,4-dien-1-yl-2-[(6-hydroxy-4-oxo-1H-pyridine-3-carbonyl)amino]acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: disodium 6-[[2-(1-cyclohexa-1,4-dienyl)-2-[[(6-hydroxy-4-oxo-1H-pyridin-3-yl)-oxomethyl]amino]-1-oxoethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate IUPAC Name: disodium 6-[[2-cyclohexa-1,4-dien-1-yl-2-[(6-hydroxy-4-oxo-1H-pyridine-3-carbonyl)amino]acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: disodium 6-[[2-cyclohexa-1,4-dien-1-yl-2-[(6-hydroxy-4-keto-1H-pyridine-3-carbonyl)amino]acetyl]amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Formula: C44H46N8Na2O14S2 MolecularWeight: 1020.99078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CCC=CC3)NC(=O)C4=CNC(=CC4=O)O)C(=O)[O-])C.CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CCC=CC3)NC(=O)C4=CNC(=CC4=O)O)C(=O)[O-])C.[Na+].[Na+]

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CCC=CC3)NC(=O)C4=CNC(=CC4=O)O)C(=O)[O-])C.CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CCC=CC3)NC(=O)C4=CNC(=CC4=O)O)C(=O)[O-])C.[Na+].[Na+]

InChI

InChI=1S/2C22H24N4O7S.2Na/c2*1-22(2)16(21(32)33)26-19(31)15(20(26)34-22)25-18(30)14(10-6-4-3-5-7-10)24-17(29)11-9-23-13(28)8-12(11)27;;/h2*3-4,7-9,14-16,20H,5-6H2,1-2H3,(H,24,29)(H,25,30)(H,32,33)(H2,23,27,28);;/q;;2*+1/p-2