sodium (2S,5R,6R)-6-[[2-(2-methoxyphenoxy)-2-methyl-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-methyl-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-(2-methoxyphenoxy)-2-methyl-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-methyl-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-methylhexanoyl]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-hexanoyl]amino]-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Formula: C22H29N2NaO6S MolecularWeight: 472.53023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCC(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/C22H30N2O6S.Na/c1-6-7-12-22(4,30-14-11-9-8-10-13(14)29-5)20(28)23-15-17(25)24-16(19(26)27)21(2,3)31-18(15)24;/h8-11,15-16,18H,6-7,12H2,1-5H3,(H,23,28)(H,26,27);/q;+1/p-1/t15-,16+,18-,22?;/m1./s1