sodium; 7-[(2-azanyl-2-phenyl-ethanoyl)amino]-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; decanoate

Systemtic Name: sodium; 7-[(2-azanyl-2-phenyl-ethanoyl)amino]-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; decanoate Openeye Name: sodium; 7-[(2-amino-2-phenyl-acetyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; decanoate CAS Name: sodium; 7-[(2-amino-1-oxo-2-phenylethyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; decanoate IUPAC Name: sodium; 7-[(2-amino-2-phenylacetyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; decanoate Traditional Name: sodium; 7-[(2-amino-2-phenyl-acetyl)amino]-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; caprate Formula: C26H36N3NaO6S MolecularWeight: 541.63531

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)[O-].CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)N)SC1)C(=O)O.[Na+]

Isomeric SMILES

CCCCCCCCCC(=O)[O-].CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)N)SC1)C(=O)O.[Na+]

InChI

InChI=1S/C16H17N3O4S.C10H20O2.Na/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9;1-2-3-4-5-6-7-8-9-10(11)12;/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23);2-9H2,1H3,(H,11,12);/q;;+1/p-1