sodium (2S,5R,6R)-6-[[2-[[(E)-4-methoxy-4-oxidanylidene-but-2-en-2-yl]amino]-2-phenyl-ethanoyl]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: sodium (2S,5R,6R)-6-[[2-[[(E)-4-methoxy-4-oxidanylidene-but-2-en-2-yl]amino]-2-phenyl-ethanoyl]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: sodium (2S,5R,6R)-6-[[2-[[(E)-3-methoxy-1-methyl-3-oxo-prop-1-enyl]amino]-2-phenyl-acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: sodium (2S,5R,6R)-6-[[2-[[(E)-4-methoxy-4-oxobut-2-en-2-yl]amino]-1-oxo-2-phenylethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate IUPAC Name: sodium (2S,5R,6R)-6-[[2-[[(E)-4-methoxy-4-oxobut-2-en-2-yl]amino]-2-phenylacetyl]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-[[(E)-3-keto-3-methoxy-1-methyl-prop-1-enyl]amino]-2-phenyl-acetyl]amino]-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Formula: C21H24N3NaO6S MolecularWeight: 469.48653

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)OC)NC(C1=CC=CC=C1)C(=O)NC2C3N(C2=O)C(C(S3)(C)C)C(=O)[O-].[Na+]

Isomeric SMILES

C/C(=C\C(=O)OC)/NC(C1=CC=CC=C1)C(=O)N[C@H]2[C@@H]3N(C2=O)[C@H](C(S3)(C)C)C(=O)[O-].[Na+]

InChI

InChI=1S/C21H25N3O6S.Na/c1-11(10-13(25)30-4)22-14(12-8-6-5-7-9-12)17(26)23-15-18(27)24-16(20(28)29)21(2,3)31-19(15)24;/h5-10,14-16,19,22H,1-4H3,(H,23,26)(H,28,29);/q;+1/p-1/b11-10+;/t14?,15-,16+,19-;/m1./s1