sodium (2S,5R,6R)-6-[[2-(2-methoxyphenoxy)-3-methyl-2-propan-2-yl-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)-3-methyl-2-propan-2-yl-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-isopropyl-2-(2-methoxyphenoxy)-3-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)-3-methyl-1-oxo-2-propan-2-ylbutyl]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)-3-methyl-2-propan-2-ylbutanoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: sodium (2S,5R,6R)-6-[[2-isopropyl-2-(2-methoxyphenoxy)-3-methyl-butanoyl]amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Formula: C23H31N2NaO6S MolecularWeight: 486.55681

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)C(C(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/C23H32N2O6S.Na/c1-12(2)23(13(3)4,31-15-11-9-8-10-14(15)30-7)21(29)24-16-18(26)25-17(20(27)28)22(5,6)32-19(16)25;/h8-13,16-17,19H,1-7H3,(H,24,29)(H,27,28);/q;+1/p-1/t16-,17+,19-;/m1./s1