sodium (2S,5R,6R)-6-[[2-(2-methoxyphenoxy)-2-methyl-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)-2-methyl-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-(2-methoxyphenoxy)-2-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)-2-methyl-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)-2-methylpentanoyl]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-pentanoyl]amino]-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Formula: C21H27N2NaO6S MolecularWeight: 458.50365

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC(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/C21H28N2O6S.Na/c1-6-11-21(4,29-13-10-8-7-9-12(13)28-5)19(27)22-14-16(24)23-15(18(25)26)20(2,3)30-17(14)23;/h7-10,14-15,17H,6,11H2,1-5H3,(H,22,27)(H,25,26);/q;+1/p-1/t14-,15+,17-,21?;/m1./s1