sodium (2S,5R,6R)-6-[[2-(2-methoxyphenoxy)-4-methyl-2-(2-methylpropyl)pentanoyl]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: sodium (2S,5R,6R)-6-[[2-(2-methoxyphenoxy)-4-methyl-2-(2-methylpropyl)pentanoyl]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: sodium (2S,5R,6R)-6-[[2-isobutyl-2-(2-methoxyphenoxy)-4-methyl-pentanoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: sodium (2S,5R,6R)-6-[[2-(2-methoxyphenoxy)-4-methyl-2-(2-methylpropyl)-1-oxopentyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate IUPAC Name: sodium (2S,5R,6R)-6-[[2-(2-methoxyphenoxy)-4-methyl-2-(2-methylpropyl)pentanoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: sodium (2S,5R,6R)-6-[[2-isobutyl-2-(2-methoxyphenoxy)-4-methyl-pentanoyl]amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Formula: C25H35N2NaO6S MolecularWeight: 514.60997

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC(C)C)(C(=O)NC1C2N(C1=O)C(C(S2)(C)C)C(=O)[O-])OC3=CC=CC=C3OC.[Na+]

Isomeric SMILES

CC(C)CC(CC(C)C)(C(=O)N[C@H]1[C@@H]2N(C1=O)[C@H](C(S2)(C)C)C(=O)[O-])OC3=CC=CC=C3OC.[Na+]

InChI

InChI=1S/C25H36N2O6S.Na/c1-14(2)12-25(13-15(3)4,33-17-11-9-8-10-16(17)32-7)23(31)26-18-20(28)27-19(22(29)30)24(5,6)34-21(18)27;/h8-11,14-15,18-19,21H,12-13H2,1-7H3,(H,26,31)(H,29,30);/q;+1/p-1/t18-,19+,21-;/m1./s1