sodium (2S,5R,6R)-6-[[2-(2-methoxyphenoxy)-2-(2-methylpropyl)hexanoyl]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-(2-methylpropyl)hexanoyl]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)hexanoyl]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-(2-methylpropyl)-1-oxohexyl]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-(2-methylpropyl)hexanoyl]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)hexanoyl]amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Formula: C25H35N2NaO6S MolecularWeight: 514.60997

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCC(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/c1-7-8-13-25(14-15(2)3,33-17-12-10-9-11-16(17)32-6)23(31)26-18-20(28)27-19(22(29)30)24(4,5)34-21(18)27;/h9-12,15,18-19,21H,7-8,13-14H2,1-6H3,(H,26,31)(H,29,30);/q;+1/p-1/t18-,19+,21-,25?;/m1./s1