sodium (2S,5R,6R)-6-[[2-(2-methoxyphenoxy)-2-methyl-butanoyl]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)-2-methyl-butanoyl]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: sodium (2S,5R,6R)-6-[[2-(2-methoxyphenoxy)-2-methyl-butanoyl]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)-2-methyl-1-oxobutyl]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)-2-methylbutanoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: sodium (2S,5R,6R)-7-keto-6-[[2-(2-methoxyphenoxy)-2-methyl-butanoyl]amino]-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Formula: C20H25N2NaO6S MolecularWeight: 444.47707

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(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/C20H26N2O6S.Na/c1-6-20(4,28-12-10-8-7-9-11(12)27-5)18(26)21-13-15(23)22-14(17(24)25)19(2,3)29-16(13)22;/h7-10,13-14,16H,6H2,1-5H3,(H,21,26)(H,24,25);/q;+1/p-1/t13-,14+,16-,20?;/m1./s1